Geometry & MOs

Info

ID:	253390
PubChem CID:	103118121
Reduced:	O3N4C13H18 (1)
Stoich.:	A3B4C13D18 (1)
Weight, g/mol:	299.159354
ΔH_f, kcal/mol:	-64.67
Dipole, Da:	3.54
IP(EA), eV:	-9.52(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(CNC(=O)C1=C2C=NC=CN2N=C1)OCC

DOS

IR

Vibrations