Geometry & MOs

Info

ID:	346163
PubChem CID:	127270651
Reduced:	ON2C9H16 (2)
Stoich.:	AB2C9D16 (2)
Weight, g/mol:	350.268176
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	5.93
IP(EA), eV:	-8.77(0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCC(CC1)C(=O)N2CCCC2)C3CC3

DOS

IR

Vibrations