Geometry & MOs

Info

ID:	320236
PubChem CID:	126658885
Reduced:	BrOPN2C4H4 (1)
Stoich.:	ABCD2E4F4 (1)
Weight, g/mol:	317.152812
ΔH_f, kcal/mol:	-0.86
Dipole, Da:	2.57
IP(EA), eV:	-9.65(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-methyl-4-pyridin-3-ylphenyl)methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-7-ol

Drug info:

PubChemData

Smile

C1=C(N=C(N1P)C=O)Br

DOS

IR

Vibrations