Geometry & MOs

Info

ID:

307702

PubChem CID:

125308240

Reduced:

NO7C26H29 (2)

Stoich.:

AB7C26D29 (2)

Weight, g/mol:

374.13972

ΔHf, kcal/mol:

-407.2

Dipole, Da:

7.13

IP(EA), eV:

 -7.75(-1.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R)-3-[(2-chlorophenyl)methoxy]-N-cycloheptyl-4-oxo-3H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1/C=C\C=C(/C(=O)NC2=C(C(=O)C3=C4C(=C(C(=C3C2=O)OC(=O)C5=CC=C(C=C5)C)C)O[C@@](C4=O)(O/C=C\[C@H]([C@H]([C@H]([C@H]([C@H]([C@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)NC6=CC=C(C=C6)OC)\C

DOS

IR

Vibrations