Geometry & MOs

Info

ID:	375009
PubChem CID:	131465165
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	253.048126
ΔH_f, kcal/mol:	-82.68
Dipole, Da:	4.22
IP(EA), eV:	-9.02(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-3-(2-chloro-6-methylphenyl)-1,1,1-trifluoropropan-2-ol

Drug info:

PubChemData

Smile

C1CNCCC1N2C=C(CC2=O)CO

DOS

IR

Vibrations