Geometry & MOs

Info

ID:	166887
PubChem CID:	74750114
Reduced:	FO2N4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	454.249452
ΔH_f, kcal/mol:	10.18
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.151928
Charge, e:	1

Chem-info

IUPAC name:

N-(2,6-dimethylphenyl)-2-[4-(2,3-diphenylprop-2-enoyl)piperazin-1-ium-1-yl]acetamide

Drug info:

PubChemData

Smile

C[NH+]1C=C2C(=NN(C2=O)C3=CC=CC=C3)C(=C1)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations