Geometry & MOs

Info

ID:	20253
PubChem CID:	582814
Reduced:	NOC11H11 (1)
Stoich.:	ABC11D11 (1)
Weight, g/mol:	173.084064
ΔH_f, kcal/mol:	4.73
Dipole, Da:	4.99
IP(EA), eV:	-8.91(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-2-(4-methylphenyl)but-2-enenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C(C)O)C#N

DOS

IR

Vibrations