Geometry & MOs

Info

ID:	166935
PubChem CID:	74756921
Reduced:	O3N6C25H26 (1)
Stoich.:	A3B6C25D26 (1)
Weight, g/mol:	443.233468
ΔH_f, kcal/mol:	0.03
Dipole, Da:	4.64
IP(EA), eV:	-8.66(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C=N2)CC(CN3C=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)O

DOS

IR

Vibrations