Geometry & MOs

Info

ID:	48586
PubChem CID:	11108723
Reduced:	BC20H29 (1)
Stoich.:	AB20C29 (1)
Weight, g/mol:	280.131074
ΔH_f, kcal/mol:	-7.65
Dipole, Da:	0.51
IP(EA), eV:	-8.96(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-2-[(3,4-dimethoxyphenyl)-hydroxymethyl]but-2-enoate

Drug info:

PubChemData

Smile

B(/C=C\C1=CC=CC=C1)(C2CCCCC2)C3CCCCC3

DOS

IR

Vibrations