Geometry & MOs

Info

ID:	375435
PubChem CID:	131529686
Reduced:	ClNF5H7C9 (1)
Stoich.:	ABC5D7E9 (1)
Weight, g/mol:	275.97098
ΔH_f, kcal/mol:	-251.74
Dipole, Da:	2.32
IP(EA), eV:	-10.2(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-2,2-difluoroethyl)-5-bromo-4-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1C(F)(F)F)Cl)C(C(F)F)N

DOS

IR

Vibrations