Geometry & MOs

Info

ID:	372974
PubChem CID:	131307756
Reduced:	NOC10H11 (1)
Stoich.:	ABC10D11 (1)
Weight, g/mol:	227.039399
ΔH_f, kcal/mol:	-17.77
Dipole, Da:	1.16
IP(EA), eV:	-8.1(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C(=C(N2)O)C

DOS

IR

Vibrations