Geometry & MOs

Info

ID:	56315
PubChem CID:	17425079
Reduced:	ClO3N4H25C27 (1)
Stoich.:	AB3C4D25E27 (1)
Weight, g/mol:	369.166411
ΔH_f, kcal/mol:	-12.72
Dipole, Da:	3.0
IP(EA), eV:	-8.98(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C(=O)CNC(=O)COC4=CC=CC=C4

DOS

IR

Vibrations