Geometry & MOs

Info

ID:	16186
PubChem CID:	461037
Reduced:	OC10H16 (2)
Stoich.:	AB10C16 (2)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-123.18
Dipole, Da:	4.41
IP(EA), eV:	-9.19(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,4S,5aR,10aR,10bS)-3a,5a,8-trimethyl-1-propan-2-yl-3,4,5,6,9,10,10a,10b-octahydrocyclohepta[e]indene-3,4-diol

Drug info:

PubChemData

Smile

CC1=CC[C@@]2(C[C@@H]([C@@]3([C@H](C=C([C@@H]3[C@H]2CC1)C(C)C)O)C)O)C

DOS

IR

Vibrations