Geometry & MOs

Info

ID:	39755
PubChem CID:	8142164
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	396.228717
ΔH_f, kcal/mol:	-99.63
Dipole, Da:	3.71
IP(EA), eV:	-8.69(0.07)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations