Geometry & MOs

Info

ID:	193584
PubChem CID:	78408548
Reduced:	ClON5C8H10 (1)
Stoich.:	ABC5D8E10 (1)
Weight, g/mol:	215.069477
ΔH_f, kcal/mol:	24.09
Dipole, Da:	7.96
IP(EA), eV:	-8.93(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dimethyl-9aH-chromeno[2,3-d]triazol-9-one

Drug info:

PubChemData

Smile

CC(=NNC1=NN=C(C=C1)Cl)CC(=O)N

DOS

IR

Vibrations