Geometry & MOs

Info

ID:	173824
PubChem CID:	75688365
Reduced:	O3N4C20H29 (1)
Stoich.:	A3B4C20D29 (1)
Weight, g/mol:	370.229466
ΔH_f, kcal/mol:	-31.76
Dipole, Da:	6.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.093502
Charge, e:	1

Chem-info

IUPAC name:

N-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethyl)piperazin-4-ium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)C[NH+]2CCN(CC2)C(C)C(=O)NC3=CC(=NO3)C

DOS

IR

Vibrations