Geometry & MOs

Info

ID:	343093
PubChem CID:	127266266
Reduced:	ON4C15H28 (1)
Stoich.:	AB4C15D28 (1)
Weight, g/mol:	345.101082
ΔH_f, kcal/mol:	-46.06
Dipole, Da:	5.11
IP(EA), eV:	-8.84(1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-dichlorophenyl)-3-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)N1CC(N(C(C1)C)CC#N)C

DOS

IR

Vibrations