Geometry & MOs

Info

ID:	392269
PubChem CID:	135014062
Reduced:	N3H17C20 (1)
Stoich.:	A3B17C20 (1)
Weight, g/mol:	412.297745
ΔH_f, kcal/mol:	80.02
Dipole, Da:	4.68
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C2CCC3=C(C2=C4CCC5=C(C4=N1)N=CC=C5)N=CC=C3

DOS

IR

Vibrations