Geometry & MOs

Info

ID:	236666
PubChem CID:	92714382
Reduced:	ON3H21C22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	387.158292
ΔH_f, kcal/mol:	36.02
Dipole, Da:	1.26
IP(EA), eV:	-8.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)N[C@@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=CC=C4

DOS

IR

Vibrations