Geometry & MOs

Info

ID:	152710
PubChem CID:	56311756
Reduced:	N2O2F3C22H25 (1)
Stoich.:	A2B2C3D22E25 (1)
Weight, g/mol:	405.241627
ΔH_f, kcal/mol:	-206.99
Dipole, Da:	2.5
IP(EA), eV:	-8.82(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OCC(F)(F)F

DOS

IR

Vibrations