Geometry & MOs

Info

ID:	397436
PubChem CID:	135030218
Reduced:	O6C19H20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-172.89
Dipole, Da:	2.82
IP(EA), eV:	-8.42(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(1,3-dioxolan-2-yl)-1-hydroxyethyl]benzonitrile

Drug info:

PubChemData

Smile

COCOC1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2O)OC)OC

DOS

IR

Vibrations