Geometry & MOs

Info

ID:	137309
PubChem CID:	52188024
Reduced:	ClFN2O3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	386.192961
ΔH_f, kcal/mol:	-127.43
Dipole, Da:	4.31
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CN(CCOC1=CC=C(C=C1)OC)C(=O)NC2=C(C=C(C=C2)F)Cl

DOS

IR

Vibrations