Geometry & MOs

Info

ID:	85809
PubChem CID:	49879451
Reduced:	NOC9H11 (1)
Stoich.:	ABC9D11 (1)
Weight, g/mol:	376.178693
ΔH_f, kcal/mol:	36.98
Dipole, Da:	1.19
IP(EA), eV:	-8.86(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9S)-11-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CO/N=C/1\CCC2C1=CC=C2

DOS

IR

Vibrations