Geometry & MOs

Info

ID:	175064
PubChem CID:	75850701
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-175.64
Dipole, Da:	1.06
IP(EA), eV:	-8.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-(3-cyanopropoxy)-3-oxoprop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC

DOS

IR

Vibrations