Geometry & MOs

Info

ID:	39743
PubChem CID:	8142120
Reduced:	F2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	396.228717
ΔH_f, kcal/mol:	-139.46
Dipole, Da:	4.86
IP(EA), eV:	-9.28(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations