Geometry & MOs

Info

ID:

310163

PubChem CID:

126575942

Reduced:

N11O13C65H117 (1)

Stoich.:

A11B13C65D117 (1)

Weight, g/mol:

278.04582

ΔHf, kcal/mol:

-579.43

Dipole, Da:

4.8

IP(EA), eV:

 -9.13(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethenyl-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl chloride

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N([C@@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CCC(C)C)C)C(C)C)[C@H](C)COC)C)CC)C

DOS

IR

Vibrations