Geometry & MOs

Info

ID:	386756
PubChem CID:	134982813
Reduced:	H9C14 (2)
Stoich.:	A9B14 (2)
Weight, g/mol:	396.136159
ΔH_f, kcal/mol:	131.58
Dipole, Da:	0.59
IP(EA), eV:	-8.66(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 8-phenylbenzo[a]heptalene-6,7-dicarboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C4=CC=CC5=C4C6C3=C(C=C2)C7=CC=CC=C7C6C=C5

DOS

IR

Vibrations