Geometry & MOs

Info

ID:	406376
PubChem CID:	135077393
Reduced:	ON2C27H34 (1)
Stoich.:	AB2C27D34 (1)
Weight, g/mol:	388.188589
ΔH_f, kcal/mol:	30.06
Dipole, Da:	8.06
IP(EA), eV:	-9.47(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(E)-5-(3,5-dimethoxyphenyl)-2-methylpent-2-enyl]-2-prop-2-ynylpropanedioate

Drug info:

PubChemData

Smile

CC(=CCC/C(=C/CCC(=CCCC1=CC=C(C=C1)C#N)C)/C#N)CCCCC=O

DOS

IR

Vibrations