Geometry & MOs

Info

ID:	127680
PubChem CID:	51010997
Reduced:	O2C19H24 (1)
Stoich.:	A2B19C24 (1)
Weight, g/mol:	300.20893
ΔH_f, kcal/mol:	-59.21
Dipole, Da:	1.33
IP(EA), eV:	-9.07(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,5S,6R,7S,10S)-2-(hydroxymethyl)-10-methyl-5-[(2Z)-6-methylhepta-2,5-dien-2-yl]tricyclo[5.2.1.02,6]dec-3-en-8-one

Drug info:

PubChemData

Smile

C[C@@]12CC[C@H](C1(C)C)[C@H]3[C@@H]2O[C@H](O3)/C=C/C4=CC=CC=C4

DOS

IR

Vibrations