Geometry & MOs

Info

ID:	398415
PubChem CID:	135033184
Reduced:	O2C23H36 (1)
Stoich.:	A2B23C36 (1)
Weight, g/mol:	304.24023
ΔH_f, kcal/mol:	-117.96
Dipole, Da:	1.38
IP(EA), eV:	-9.4(1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,7S,10S,14R)-15-hydroxy-2,6,6,12-tetramethyltetracyclo[8.6.0.01,14.02,7]hexadecan-13-one

Drug info:

PubChemData

Smile

CC1C[C@@H]2CC[C@@H]3[C@@]([C@]24CC(=C)[C@@H]4C15OCCO5)(CCCC3(C)C)C

DOS

IR

Vibrations