Geometry & MOs

Info

ID:	253900
PubChem CID:	103121397
Reduced:	O2N5C14H17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	297.143704
ΔH_f, kcal/mol:	43.29
Dipole, Da:	3.43
IP(EA), eV:	-9.08(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(aminomethyl)-1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N(CC/C(=N\O)/N)C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations