Geometry & MOs

Info

ID:	354625
PubChem CID:	127287242
Reduced:	ON6C16H26 (1)
Stoich.:	AB6C16D26 (1)
Weight, g/mol:	378.182254
ΔH_f, kcal/mol:	18.81
Dipole, Da:	4.38
IP(EA), eV:	-8.92(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCN(CC1)C2=NC=CN=C2)N(C)C3CC3

DOS

IR

Vibrations