Geometry & MOs

Info

ID:	136075
PubChem CID:	51974965
Reduced:	N2O4H18C21 (1)
Stoich.:	A2B4C18D21 (1)
Weight, g/mol:	361.118832
ΔH_f, kcal/mol:	-94.99
Dipole, Da:	12.11
IP(EA), eV:	-8.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(7R)-7-(2-methoxyphenyl)-5-oxo-1-phenyl-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC=C1[C@@H]2CC(=O)NC3=C2N(C=C3C(=O)O)C4=CC=CC=C4

DOS

IR

Vibrations