Geometry & MOs

Info

ID:	374959
PubChem CID:	131407867
Reduced:	ON3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	-15.72
Dipole, Da:	6.09
IP(EA), eV:	-9.09(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-hydroxy-4-methoxyphenyl)propanenitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N(N1)C(C)(C)C)CC#N

DOS

IR

Vibrations