Geometry & MOs

Info

ID:	370394
PubChem CID:	127338437
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-46.73
Dipole, Da:	4.77
IP(EA), eV:	-8.45(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-chlorophenyl)-5-oxopyrrolidin-3-yl]-2-oxo-1,5,6,7,8,9-hexahydrocyclohepta[b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN(C1CCOC1)C(=O)C2CCN(CC2)C3=NC=CN=C3

DOS

IR

Vibrations