Geometry & MOs

Info

ID:	204959
PubChem CID:	80036082
Reduced:	N5C14H23 (1)
Stoich.:	A5B14C23 (1)
Weight, g/mol:	318.043455
ΔH_f, kcal/mol:	53.16
Dipole, Da:	3.24
IP(EA), eV:	-8.5(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethanol

Drug info:

PubChemData

Smile

CC(C)CC(CN(C)C)NC1=NN2C=CC=CC2=N1

DOS

IR

Vibrations