Geometry & MOs

Info

ID:	358251
PubChem CID:	127295796
Reduced:	O2N3C24H31 (1)
Stoich.:	A2B3C24D31 (1)
Weight, g/mol:	308.221226
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	3.82
IP(EA), eV:	-8.97(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-oxoazepan-3-yl)-3-piperidin-1-ylpyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)CC(=O)N2CCCN(CC2)C(=O)NCC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations