Geometry & MOs

Info

ID:	12924
PubChem CID:	148413
Reduced:	H2C3 (8)
Stoich.:	A2B3 (8)
Weight, g/mol:	304.125201
ΔH_f, kcal/mol:	73.39
Dipole, Da:	0.0
IP(EA), eV:	-7.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12,22-dimethylhexacyclo[11.7.1.14,20.02,11.03,8.017,21]docosa-1,3(8),4,6,9,11,13,15,17(21),18,20(22)-undecaene

Drug info:

PubChemData

Smile

CC1=C2C=CC3=C4C2=C5C(=C(C4=CC=C3)C)C=CC6=C5C1=CC=C6

DOS

IR

Vibrations