Geometry & MOs

Info

ID:	252415
PubChem CID:	103111205
Reduced:	N3O3C14H17 (1)
Stoich.:	A3B3C14D17 (1)
Weight, g/mol:	279.133139
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	1.24
IP(EA), eV:	-9.07(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)N1C(=O)C2=C(C1=O)C=C(C=C2)N

DOS

IR

Vibrations