Geometry & MOs

Info

ID:	152544
PubChem CID:	56311499
Reduced:	O3N4C24H28 (1)
Stoich.:	A3B4C24D28 (1)
Weight, g/mol:	374.180584
ΔH_f, kcal/mol:	-66.35
Dipole, Da:	7.81
IP(EA), eV:	-8.57(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[4-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CCC(CC)NC(=O)C1CN(C2=CC=CC=C2O1)CCC(=O)NC3=CC=C(C=C3)C#N

DOS

IR

Vibrations