Geometry & MOs

Info

ID:	236641
PubChem CID:	92714300
Reduced:	N3O3C23H23 (1)
Stoich.:	A3B3C23D23 (1)
Weight, g/mol:	381.128883
ΔH_f, kcal/mol:	-30.56
Dipole, Da:	4.19
IP(EA), eV:	-8.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations