Geometry & MOs

Info

ID:	413639
PubChem CID:	135086588
Reduced:	O2N3H15C16 (1)
Stoich.:	A2B3C15D16 (1)
Weight, g/mol:	312.136159
ΔH_f, kcal/mol:	-15.36
Dipole, Da:	4.42
IP(EA), eV:	-9.02(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=N1)C(=O)NC2=CC=CC=C2C3=NCCO3

DOS

IR

Vibrations