Geometry & MOs

Info

ID:	251685
PubChem CID:	103106001
Reduced:	O2N6C11H16 (1)
Stoich.:	A2B6C11D16 (1)
Weight, g/mol:	251.072848
ΔH_f, kcal/mol:	3.38
Dipole, Da:	3.75
IP(EA), eV:	-10.14(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(N=NN1CC2=NN=C(N2C)C)C(=O)OC

DOS

IR

Vibrations