Geometry & MOs

Info

ID:	413507
PubChem CID:	135086456
Reduced:	ON2C7H7 (2)
Stoich.:	AB2C7D7 (2)
Weight, g/mol:	310.156895
ΔH_f, kcal/mol:	-6.95
Dipole, Da:	1.28
IP(EA), eV:	-9.02(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S,8aS)-5,7,8a-trimethyl-6-oxo-1,2,3,4-tetrahydronaphthalen-1-yl] benzoate

Drug info:

PubChemData

Smile

CN1C=NC=C1C(=O)NC2=CC=CC=C2C3=NCCO3

DOS

IR

Vibrations