Geometry & MOs

Info

ID:	411030
PubChem CID:	135083838
Reduced:	NOC14H17 (1)
Stoich.:	ABC14D17 (1)
Weight, g/mol:	228.997969
ΔH_f, kcal/mol:	-11.67
Dipole, Da:	2.26
IP(EA), eV:	-9.83(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfonyl-4-thiophen-3-yltriazole

Drug info:

PubChemData

Smile

C1CCC(CC1)C=NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations