Geometry & MOs

Info

ID:	253094
PubChem CID:	103115995
Reduced:	ON5H13C14 (1)
Stoich.:	AB5C13D14 (1)
Weight, g/mol:	293.148789
ΔH_f, kcal/mol:	61.15
Dipole, Da:	5.72
IP(EA), eV:	-8.23(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C(=O)NC3=NC=C(C=C3)N

DOS

IR

Vibrations