Geometry & MOs

Info

ID:	373304
PubChem CID:	131312976
Reduced:	NF2C9H9 (1)
Stoich.:	AB2C9D9 (1)
Weight, g/mol:	235.025641
ΔH_f, kcal/mol:	-81.71
Dipole, Da:	4.28
IP(EA), eV:	-8.64(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-(hydroxymethyl)-4-(trifluoromethoxy)benzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(N1)C=C(C=C2F)F

DOS

IR

Vibrations