Geometry & MOs

Info

ID:	397051
PubChem CID:	135029652
Reduced:	NOC7H8 (2)
Stoich.:	ABC7D8 (2)
Weight, g/mol:	224.17763
ΔH_f, kcal/mol:	-28.07
Dipole, Da:	0.33
IP(EA), eV:	-9.28(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3aS)-6,7,7a-trimethyl-1,2,3,3a,4,5,6,7-octahydroindene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)OCCCCOC2=CC=CC=N2

DOS

IR

Vibrations