Geometry & MOs

Info

ID:	215910
PubChem CID:	85085427
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	191.094629
ΔH_f, kcal/mol:	-32.92
Dipole, Da:	3.92
IP(EA), eV:	-9.4(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(furan-3-yl)-2-hydroxy-3-methylhex-3-enenitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations