Geometry & MOs

Info

ID:	36797
PubChem CID:	8012882
Reduced:	N2O5C22H22 (1)
Stoich.:	A2B5C22D22 (1)
Weight, g/mol:	354.218152
ΔH_f, kcal/mol:	-120.62
Dipole, Da:	2.55
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C(=O)OC

DOS

IR

Vibrations