Geometry & MOs

Info

ID:	147753
PubChem CID:	53787411
Reduced:	OPC8H13 (1)
Stoich.:	ABC8D13 (1)
Weight, g/mol:	418.28718
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	5.69
IP(EA), eV:	-9.9(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-[1,1,2,3,3-pentamethyl-6-(2-methylpropyl)-2H-inden-5-yl]prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCCP1(=O)C=CC(=C1)C

DOS

IR

Vibrations