Geometry & MOs

Info

ID:	299103
PubChem CID:	117671358
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	-5.18
Dipole, Da:	5.98
IP(EA), eV:	-8.84(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-methyl-8-propan-2-yl-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8-tetraen-11-one

Drug info:

PubChemData

Smile

CC(C)C1=C2CCN(C(=O)N2C3=C1C=CC=N3)C

DOS

IR

Vibrations