Geometry & MOs

Info

ID:	407642
PubChem CID:	135080392
Reduced:	NF2H3C5 (2)
Stoich.:	AB2C3D5 (2)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-138.72
Dipole, Da:	1.74
IP(EA), eV:	-9.91(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3,4-dihydroxy-2,2-dimethyl-3,4-dihydrochromene-7-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=NN2)F)C(F)(F)F

DOS

IR

Vibrations