Geometry & MOs

Info

ID:	236724
PubChem CID:	92714579
Reduced:	O2N4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	379.03202
ΔH_f, kcal/mol:	9.74
Dipole, Da:	4.15
IP(EA), eV:	-8.57(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R)-7-(4-bromoanilino)-6-phenyl-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC=CC=C4

DOS

IR

Vibrations