Geometry & MOs

Info

ID:	384232
PubChem CID:	134976589
Reduced:	O7C33H60 (1)
Stoich.:	A7B33C60 (1)
Weight, g/mol:	172.125201
ΔH_f, kcal/mol:	-369.37
Dipole, Da:	2.75
IP(EA), eV:	-9.67(1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,7-trimethyl-6,8-dimethylidenetricyclo[3.2.1.02,7]oct-3-ene

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[C@@H]([C@@H]1CC[C@@H](O1)[C@@H](CCC#CCC[C@@H]2COC(O2)(C)C)OCOC)OCOC

DOS

IR

Vibrations