Geometry & MOs

Info

ID:	405204
PubChem CID:	135073034
Reduced:	SiO2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-66.34
Dipole, Da:	0.84
IP(EA), eV:	-8.44(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(Z)-4-hydroxybut-2-enyl]-2-[(7-methyl-1H-indol-3-yl)methyl]propanedioate

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1O)C#CC2=CC=CC=C2)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations