Geometry & MOs

Info

ID:	392845
PubChem CID:	135018172
Reduced:	OC15H18 (1)
Stoich.:	AB15C18 (1)
Weight, g/mol:	354.146724
ΔH_f, kcal/mol:	14.3
Dipole, Da:	1.57
IP(EA), eV:	-8.76(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3-but-3-enyl-5-(4-methoxyphenyl)benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=C)C=CCCC=C

DOS

IR

Vibrations