Geometry & MOs

Info

ID:	372658
PubChem CID:	131301714
Reduced:	ON2C5H6 (2)
Stoich.:	AB2C5D6 (2)
Weight, g/mol:	324.94113
ΔH_f, kcal/mol:	-19.24
Dipole, Da:	5.08
IP(EA), eV:	-9.29(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-4-(hydroxymethyl)-3-iodobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(N2C=CC=NC2=N1)C(C(=O)OC)N

DOS

IR

Vibrations