Geometry & MOs

Info

ID:	358505
PubChem CID:	127296101
Reduced:	ON2C11H16 (2)
Stoich.:	AB2C11D16 (2)
Weight, g/mol:	386.268176
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	1.73
IP(EA), eV:	-8.65(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC(C1)N2CCCC2)C(=O)NCC(=O)N3CCCC4=CC=CC=C43

DOS

IR

Vibrations