Geometry & MOs

Info

ID:	127609
PubChem CID:	51008362
Reduced:	NC9H10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	262.156895
ΔH_f, kcal/mol:	31.73
Dipole, Da:	3.28
IP(EA), eV:	-8.42(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S,7S)-4-hydroxy-8,8-dimethyl-7-(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione

Drug info:

PubChemData

Smile

CCC1=C[C@H]2C[C@@H](C1)CC3=NC4=CC=CC=C4C(=C23)N

DOS

IR

Vibrations