Geometry & MOs

Info

ID:	253035
PubChem CID:	103115631
Reduced:	FO2N5C9H10 (1)
Stoich.:	AB2C5D9E10 (1)
Weight, g/mol:	292.164774
ΔH_f, kcal/mol:	-44.18
Dipole, Da:	5.28
IP(EA), eV:	-9.79(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[2-(dimethylamino)ethyl]-5-(3-methylimidazol-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN1C=NC=C1C2=C(N=NN2CCF)C(=O)O

DOS

IR

Vibrations