Geometry & MOs

Info

ID:	236632
PubChem CID:	92714280
Reduced:	O2N3C23H23 (1)
Stoich.:	A2B3C23D23 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	-7.22
Dipole, Da:	3.58
IP(EA), eV:	-8.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(3-acetylanilino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC)C

DOS

IR

Vibrations