Geometry & MOs

Info

ID:	48587
PubChem CID:	11108728
Reduced:	OC3H4 (5)
Stoich.:	AB3C4 (5)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-183.99
Dipole, Da:	1.98
IP(EA), eV:	-8.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(3,4-dimethoxyphenyl)-2-methyl-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/C)/C(C1=CC(=C(C=C1)OC)OC)O

DOS

IR

Vibrations