Geometry & MOs

Info

ID:	323792
PubChem CID:	126676189
Reduced:	N3O4C21H25 (1)
Stoich.:	A3B4C21D25 (1)
Weight, g/mol:	296.127326
ΔH_f, kcal/mol:	-132.07
Dipole, Da:	3.04
IP(EA), eV:	-9.53(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-2-oxo-1-(1H-pyrrolo[3,2-c]pyridin-4-ylmethyl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](C)N2C=C(C=C(C2=O)C(=O)NC)C(=O)N[C@@H]3C[C@H]3CO

DOS

IR

Vibrations