Geometry & MOs

Info

ID:	76412
PubChem CID:	48424890
Reduced:	NO3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	379.202655
ΔH_f, kcal/mol:	-121.35
Dipole, Da:	4.86
IP(EA), eV:	-8.68(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-2-(cyclopropylmethoxy)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=C(C=C1)OC(C)(C)C)OCC2CC2

DOS

IR

Vibrations