Geometry & MOs

Info

ID:	386635
PubChem CID:	134982411
Reduced:	NOC25H27 (1)
Stoich.:	ABC25D27 (1)
Weight, g/mol:	304.167459
ΔH_f, kcal/mol:	33.06
Dipole, Da:	1.1
IP(EA), eV:	-9.05(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3R,7S,8S,10S)-3,10-dihydroxy-3,5,6,8,10,12-hexamethyltricyclo[6.2.2.02,7]dodeca-5,11-diene-4,9-dione

Drug info:

PubChemData

Smile

CC(C)[C@@H]1C=CC=C[C@]1(C)C2=N[C@@H]([C@H](O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations