Geometry & MOs

Info

ID:	236531
PubChem CID:	92713807
Reduced:	FON4C23H23 (1)
Stoich.:	ABC4D23E23 (1)
Weight, g/mol:	399.054132
ΔH_f, kcal/mol:	1.03
Dipole, Da:	4.32
IP(EA), eV:	-8.31(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(2,4-dichloroanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations