Geometry & MOs

Info

ID:	374878
PubChem CID:	131349622
Reduced:	BrOSF2H7C10 (1)
Stoich.:	ABCD2E7F10 (1)
Weight, g/mol:	212.076119
ΔH_f, kcal/mol:	-110.93
Dipole, Da:	2.82
IP(EA), eV:	-9.08(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[3-(difluoromethyl)-4-hydroxyphenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(S2)O)C(=C1C(F)F)CBr

DOS

IR

Vibrations