Geometry & MOs

Info

ID:	20990
PubChem CID:	586636
Reduced:	OSN3C7H11 (1)
Stoich.:	ABC3D7E11 (1)
Weight, g/mol:	185.062283
ΔH_f, kcal/mol:	0.0
Dipole, Da:	3.91
IP(EA), eV:	-9.14(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,7-dimethyl-3-methylsulfanyl-6H-1,2,4-triazepin-5-one

Drug info:

PubChemData

Smile

CC1=NN(C(=NC(=O)C1)SC)C

DOS

IR

Vibrations