Geometry & MOs

Info

ID:	393401
PubChem CID:	135020452
Reduced:	NOH15C17 (1)
Stoich.:	ABC15D17 (1)
Weight, g/mol:	290.22458
ΔH_f, kcal/mol:	52.25
Dipole, Da:	4.59
IP(EA), eV:	-8.74(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,5R,7S,10R)-10-methyl-7-propan-2-yl-4-tricyclo[4.4.0.01,5]dec-3-enyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2=[N+](C=CC3=CC=CC=C32)[O-]

DOS

IR

Vibrations