Geometry & MOs

Info

ID:	395662
PubChem CID:	135026174
Reduced:	IH6C10 (2)
Stoich.:	AB6C10 (2)
Weight, g/mol:	407.152144
ΔH_f, kcal/mol:	112.12
Dipole, Da:	1.68
IP(EA), eV:	-9.24(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4Z)-1-benzoyl-4-benzylidene-1,8b-dihydroindeno[2,1-b]pyrrole-3a-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C3C4=C(C=C(C=C4)I)[C@@H](C2=C1)C5=C3C=C(C=C5)I

DOS

IR

Vibrations