Geometry & MOs

Info

ID:	13676
PubChem CID:	396851
Reduced:	NOH5C6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	214.074228
ΔH_f, kcal/mol:	-18.42
Dipole, Da:	9.06
IP(EA), eV:	-7.75(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one

Drug info:

PubChemData

Smile

COC1=C2C3=C(C=CN2)NC=CC3=CC1=O

DOS

IR

Vibrations