Geometry & MOs

Info

ID:	148570
PubChem CID:	53788238
Reduced:	O2S2N3H15C18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	127.110947
ΔH_f, kcal/mol:	32.04
Dipole, Da:	7.36
IP(EA), eV:	-8.59(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dimethyl-2H-triazole;ethane

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SNC2=O.CC1=CC2=C(C=C1)SN=C2OCC#N

DOS

IR

Vibrations