Geometry & MOs

Info

ID:	253048
PubChem CID:	103115706
Reduced:	O3N5C12H17 (1)
Stoich.:	A3B5C12D17 (1)
Weight, g/mol:	303.094309
ΔH_f, kcal/mol:	-55.45
Dipole, Da:	2.71
IP(EA), eV:	-9.79(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-methylimidazol-4-yl)-1-(2,2,2-trifluoroethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC(C)O)C2=CN=CN2C

DOS

IR

Vibrations