Geometry & MOs

Info

ID:	236725
PubChem CID:	92714593
Reduced:	BrON3H14C19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	379.03202
ΔH_f, kcal/mol:	61.38
Dipole, Da:	3.05
IP(EA), eV:	-8.71(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=CC=C(C=C4)Br

DOS

IR

Vibrations