Geometry & MOs

Info

ID:	386126
PubChem CID:	134980850
Reduced:	AlC18H31 (1)
Stoich.:	AB18C31 (1)
Weight, g/mol:	216.187801
ΔH_f, kcal/mol:	-61.13
Dipole, Da:	1.18
IP(EA), eV:	-8.46(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,5R,6R,7S,8S,12R)-3,4,4,5-tetramethylpentacyclo[5.5.0.02,6.03,5.08,12]dodecane

Drug info:

PubChemData

Smile

CCCC(C1=CC=CC=C1)[Al](CC(C)C)CC(C)C

DOS

IR

Vibrations