Geometry & MOs

Info

ID:	373052
PubChem CID:	131309151
Reduced:	FNOC12H12 (1)
Stoich.:	ABCD12E12 (1)
Weight, g/mol:	253.048126
ΔH_f, kcal/mol:	-45.23
Dipole, Da:	4.26
IP(EA), eV:	-9.28(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)F)C2(CCC2)C#N

DOS

IR

Vibrations