Geometry & MOs

Info

ID:	372317
PubChem CID:	131296145
Reduced:	INOF3C9H9 (1)
Stoich.:	ABCD3E9F9 (1)
Weight, g/mol:	197.028835
ΔH_f, kcal/mol:	-174.64
Dipole, Da:	3.58
IP(EA), eV:	-9.21(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethyl)-4-formyl-6-hydroxybenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1I)[C@H](CC(F)(F)F)N)O

DOS

IR

Vibrations