Geometry & MOs

Info

ID:	127357
PubChem CID:	50999627
Reduced:	O2N3C12H13 (1)
Stoich.:	A2B3C12D13 (1)
Weight, g/mol:	278.079761
ΔH_f, kcal/mol:	47.46
Dipole, Da:	8.56
IP(EA), eV:	-9.68(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)CN2C=CC(=N2)[N+](=O)[O-])C

DOS

IR

Vibrations