Geometry & MOs

Info

ID:	375404
PubChem CID:	131500215
Reduced:	FNOH10C11 (1)
Stoich.:	ABCD10E11 (1)
Weight, g/mol:	191.074642
ΔH_f, kcal/mol:	-37.09
Dipole, Da:	6.11
IP(EA), eV:	-10.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropyl-3-fluorophenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC(=C1)C(=O)C#N)F

DOS

IR

Vibrations