Geometry & MOs

Info

ID:	371884
PubChem CID:	131277179
Reduced:	ON2C5H5 (2)
Stoich.:	AB2C5D5 (2)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-6.7
Dipole, Da:	3.57
IP(EA), eV:	-9.27(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-2-methoxyphenyl)-3-hydroxypropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1OC2=NC=NC(=N2)N)O

DOS

IR

Vibrations