Geometry & MOs

Info

ID:	374931
PubChem CID:	131407184
Reduced:	BNO3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	219.087098
ΔH_f, kcal/mol:	-200.95
Dipole, Da:	2.89
IP(EA), eV:	-8.92(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-2-[4-(difluoromethyl)-2-fluoro-5-methylphenyl]ethanol

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(N=CC=C2)OCCCC

DOS

IR

Vibrations