Geometry & MOs

Info

ID:	39749
PubChem CID:	8142142
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	366.218152
ΔH_f, kcal/mol:	-88.35
Dipole, Da:	2.0
IP(EA), eV:	-9.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)CN2CCN(CC2)C(=O)COC3=CC=CC=C3C)C

DOS

IR

Vibrations