Geometry & MOs

Info

ID:	156283
PubChem CID:	56369949
Reduced:	N4O6C21H26 (1)
Stoich.:	A4B6C21D26 (1)
Weight, g/mol:	433.197712
ΔH_f, kcal/mol:	-189.03
Dipole, Da:	3.62
IP(EA), eV:	-8.98(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylphenyl)acetyl]-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NCCC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations