Geometry & MOs

Info

ID:	252488
PubChem CID:	103111745
Reduced:	O3N6C10H14 (1)
Stoich.:	A3B6C10D14 (1)
Weight, g/mol:	254.13789
ΔH_f, kcal/mol:	-10.39
Dipole, Da:	5.88
IP(EA), eV:	-10.19(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(aminomethyl)-1-(oxan-4-yl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CC2=NOC(=N2)C)CN

DOS

IR

Vibrations