Geometry & MOs

Info

ID:	3092
PubChem CID:	9147
Reduced:	H2C3 (5)
Stoich.:	A2B3 (5)
Weight, g/mol:	190.07825
ΔH_f, kcal/mol:	64.87
Dipole, Da:	0.57
IP(EA), eV:	-8.73(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene

Drug info:

PubChemData

Smile

C1C2=CC=CC3=C2C4=C(C=CC=C41)C=C3

DOS

IR

Vibrations