Geometry & MOs

Info

ID:	253420
PubChem CID:	103118333
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	291.133139
ΔH_f, kcal/mol:	-80.1
Dipole, Da:	3.96
IP(EA), eV:	-9.93(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(2-methoxypyridin-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)C2CCOC3(C2)CCC3)CCN

DOS

IR

Vibrations