Geometry & MOs

Info

ID:	138013
PubChem CID:	52299821
Reduced:	O2F3N3C22H24 (1)
Stoich.:	A2B3C3D22E24 (1)
Weight, g/mol:	382.249452
ΔH_f, kcal/mol:	-205.57
Dipole, Da:	7.07
IP(EA), eV:	-8.95(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(CC(=O)N[C@H](CN1CCCC1=O)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations