Geometry & MOs

Info

ID:	439573
PubChem CID:	135229349
Reduced:	IN2C6H7 (1)
Stoich.:	AB2C6D7 (1)
Weight, g/mol:	181.067369
ΔH_f, kcal/mol:	58.34
Dipole, Da:	4.58
IP(EA), eV:	-8.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-(5-methylthiophen-2-yl)-1,5-dihydro-1,2,4-triazole

Drug info:

PubChemData

Smile

CC1=NC=C(C=CN1)I

DOS

IR

Vibrations