Geometry & MOs

Info

ID:	402719
PubChem CID:	135057013
Reduced:	NO3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	218.09185
ΔH_f, kcal/mol:	-23.74
Dipole, Da:	6.9
IP(EA), eV:	-10.32(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-phenyl-2-(trifluoromethyl)butan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations