Geometry & MOs

Info

ID:	236548
PubChem CID:	92713891
Reduced:	O2N3H19C20 (1)
Stoich.:	A2B3C19D20 (1)
Weight, g/mol:	380.11207
ΔH_f, kcal/mol:	5.58
Dipole, Da:	1.36
IP(EA), eV:	-8.38(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-6-(furan-2-ylmethyl)-7-(2-methoxy-4-nitroanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CO4

DOS

IR

Vibrations