Geometry & MOs

Info

ID:	252692
PubChem CID:	103113272
Reduced:	O2N5C13H19 (1)
Stoich.:	A2B5C13D19 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-9.91
Dipole, Da:	6.7
IP(EA), eV:	-9.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 5-methyl-1-(thiophen-3-ylmethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(N=NN1CC2=NN(C=C2)C)C(=O)OCC(C)C

DOS

IR

Vibrations