Geometry & MOs

Info

ID:	252468
PubChem CID:	103111620
Reduced:	ClO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-15.98
Dipole, Da:	3.33
IP(EA), eV:	-9.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=CC=CC=C2Cl)CN

DOS

IR

Vibrations