Geometry & MOs

Info

ID:	374027
PubChem CID:	131322643
Reduced:	ON3C11H13 (1)
Stoich.:	AB3C11D13 (1)
Weight, g/mol:	227.034921
ΔH_f, kcal/mol:	19.09
Dipole, Da:	7.52
IP(EA), eV:	-7.98(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-4,5-dimethoxyphenyl)-2-hydroxyacetonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations