Geometry & MOs

Info

ID:	39736
PubChem CID:	8142096
Reduced:	N3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	378.218152
ΔH_f, kcal/mol:	-62.32
Dipole, Da:	5.57
IP(EA), eV:	-8.93(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)/C=C/C3=CC=CO3)C

DOS

IR

Vibrations