Geometry & MOs

Info

ID:	150743
PubChem CID:	53790439
Reduced:	O2H5C7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	384.375602
ΔH_f, kcal/mol:	-99.35
Dipole, Da:	3.58
IP(EA), eV:	-9.32(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylhenicos-1-enylbenzene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)OC2=CC=CC(=C2)O)C=O

DOS

IR

Vibrations