Geometry & MOs

Info

ID:	434846
PubChem CID:	135175819
Reduced:	OC20H32 (1)
Stoich.:	AB20C32 (1)
Weight, g/mol:	316.276616
ΔH_f, kcal/mol:	-99.92
Dipole, Da:	2.33
IP(EA), eV:	-9.23(1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,5S,8R,11R,12S,16R)-15-ethyl-6,16-dimethylpentacyclo[9.7.0.02,8.05,7.012,16]octadecan-5-ol

Drug info:

PubChemData

Smile

C/C=C\1/CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@H]3CCC(C4)O)C

DOS

IR

Vibrations