Geometry & MOs

Info

ID:	358452
PubChem CID:	127296048
Reduced:	N3O3C20H31 (1)
Stoich.:	A3B3C20D31 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-108.25
Dipole, Da:	3.03
IP(EA), eV:	-8.27(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(4-chlorobenzoyl)amino]ethyl]-3-pyrrolidin-1-ylazepane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)CNC(=O)N2CCCCC(C2)N3CCCC3

DOS

IR

Vibrations