Geometry & MOs

Info

ID:	152256
PubChem CID:	56311149
Reduced:	O2F3N6C24H25 (1)
Stoich.:	A2B3C6D24E25 (1)
Weight, g/mol:	443.220892
ΔH_f, kcal/mol:	-143.94
Dipole, Da:	5.1
IP(EA), eV:	-9.23(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]-N-(2-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4C=NC=N4

DOS

IR

Vibrations