Geometry & MOs

Info

ID:	346157
PubChem CID:	127270645
Reduced:	SO4N5C16H31 (1)
Stoich.:	AB4C5D16E31 (1)
Weight, g/mol:	358.236876
ΔH_f, kcal/mol:	-148.71
Dipole, Da:	4.43
IP(EA), eV:	-8.84(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CCNC(=O)N1CCN(CC1)S(=O)(=O)N2CCOCC2)C3CC3

DOS

IR

Vibrations