Geometry & MOs

Info

ID:	253414
PubChem CID:	103118305
Reduced:	O3N6C11H18 (1)
Stoich.:	A3B6C11D18 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	-70.25
Dipole, Da:	5.46
IP(EA), eV:	-9.82(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-(2-morpholin-4-yl-2-oxoethyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CCN2CCNC2=O)CCN

DOS

IR

Vibrations