Geometry & MOs

Info

ID:	39747
PubChem CID:	8142130
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	408.228717
ΔH_f, kcal/mol:	-66.12
Dipole, Da:	3.69
IP(EA), eV:	-8.65(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations