Geometry & MOs

Info

ID:	354619
PubChem CID:	127287236
Reduced:	OCl2N5C17H25 (1)
Stoich.:	AB2C5D17E25 (1)
Weight, g/mol:	392.197904
ΔH_f, kcal/mol:	-5.45
Dipole, Da:	4.2
IP(EA), eV:	-8.93(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC(=O)N1CCN(CC1)C2=C(C=C(C=N2)Cl)Cl)N(C)C3CC3

DOS

IR

Vibrations