Geometry & MOs

Info

ID:	253466
PubChem CID:	103118629
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	286.164105
ΔH_f, kcal/mol:	-86.97
Dipole, Da:	4.15
IP(EA), eV:	-9.77(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-hydroxy-3-propan-2-yloxypropyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2CCOCC2)CCN

DOS

IR

Vibrations