Geometry & MOs

Info

ID:	299104
PubChem CID:	117671359
Reduced:	ON3C14H17 (1)
Stoich.:	AB3C14D17 (1)
Weight, g/mol:	248.098334
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	2.29
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-methyl-7-propan-2-yl-3-thia-7,10-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4-trien-9-one

Drug info:

PubChemData

Smile

CC(C)C1=C2CC(=O)N(CN2C3=C1C=CC=N3)C

DOS

IR

Vibrations