Geometry & MOs

Info

ID:	195601
PubChem CID:	78708252
Reduced:	NO3C23H26 (1)
Stoich.:	AB3C23D26 (1)
Weight, g/mol:	419.153118
ΔH_f, kcal/mol:	-59.25
Dipole, Da:	14.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.886526
Charge, e:	2

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-2-[4-(3-phenylprop-2-enyl)piperazine-1,4-diium-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CC2=C(C=CC3=C2OC(=CC4=CC=C(C=C4)C)C3=O)O

DOS

IR

Vibrations