Geometry & MOs

Info

ID:

326654

PubChem CID:

126687953

Reduced:

N8O11C49H60 (1)

Stoich.:

A8B11C49D60 (1)

Weight, g/mol:

219.94975

ΔHf, kcal/mol:

-421.64

Dipole, Da:

4.01

IP(EA), eV:

 -9.11(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-iodo-4-methylpyridazine

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N[C@H](CO)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N(C)[C@H]3C4=CC(=C(C=C4)O)C5=C(C=CC(=C5)C[C@H](NC(=O)[C@@H](NC3=O)C)C(=O)O)O)N

DOS

IR

Vibrations