Geometry & MOs

Info

ID:	236659
PubChem CID:	92714364
Reduced:	ClO3N4H15C20 (1)
Stoich.:	AB3C4D15E20 (1)
Weight, g/mol:	373.142641
ΔH_f, kcal/mol:	45.04
Dipole, Da:	7.0
IP(EA), eV:	-9.1(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(7R)-6-benzyl-5-oxo-7H-pyrrolo[3,4-b]pyridin-7-yl]amino]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2[C@@H](C3=C(C2=O)C=CC=N3)NC4=CC(=C(C=C4)Cl)[N+](=O)[O-]

DOS

IR

Vibrations