Geometry & MOs

Info

ID:	299102
PubChem CID:	117671351
Reduced:	NSC11H15 (1)
Stoich.:	ABC11D15 (1)
Weight, g/mol:	243.137162
ΔH_f, kcal/mol:	11.12
Dipole, Da:	2.87
IP(EA), eV:	-8.0(0.3)
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-13-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1NC=C2C(C)C)C

DOS

IR

Vibrations