Geometry & MOs

Info

ID:	363624
PubChem CID:	127311725
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	364.166604
ΔH_f, kcal/mol:	-87.29
Dipole, Da:	0.54
IP(EA), eV:	-8.97(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorobenzoyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCNC(=O)N1CCN(CC1)C(=O)C2CCCCC2)C3CC3

DOS

IR

Vibrations