Geometry & MOs

Info

ID:	17256
PubChem CID:	490534
Reduced:	OC18H30 (1)
Stoich.:	AB18C30 (1)
Weight, g/mol:	262.229666
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	2.12
IP(EA), eV:	-9.88(2.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,6R,9S,12R,13R)-5,6,9,12-tetramethyltetracyclo[7.5.0.01,13.02,6]tetradecan-12-ol

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@@]1(CC[C@@]3([C@]24C[C@H]4[C@](CC3)(C)O)C)C

DOS

IR

Vibrations