Geometry & MOs

Info

ID:	138700
PubChem CID:	52411916
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	366.155512
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	3.8
IP(EA), eV:	-9.08(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]piperazin-1-yl]phenol

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)CC(=O)N(C)C

DOS

IR

Vibrations