Geometry & MOs

Info

ID:	392109
PubChem CID:	135013025
Reduced:	CH (22)
Stoich.:	AB (22)
Weight, g/mol:	298.172151
ΔH_f, kcal/mol:	42.53
Dipole, Da:	0.97
IP(EA), eV:	-8.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(14Z)-8-phenyltricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,14-hexaene

Drug info:

PubChemData

Smile

C1CCCC2=C(CC1)C=C(C3=CC=CC=C23)C4=CC=CC=C4

DOS

IR

Vibrations