Geometry & MOs

Info

ID:	354622
PubChem CID:	127287239
Reduced:	O2N5C18H27 (1)
Stoich.:	A2B5C18D27 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-34.98
Dipole, Da:	0.88
IP(EA), eV:	-8.96(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations