Geometry & MOs

Info

ID:	253392
PubChem CID:	103118130
Reduced:	O2N3C15H17 (1)
Stoich.:	A2B3C15D17 (1)
Weight, g/mol:	255.133139
ΔH_f, kcal/mol:	-31.47
Dipole, Da:	3.2
IP(EA), eV:	-9.11(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)CC1CCCN1C(=O)C2=C3C=CC=CN3N=C2

DOS

IR

Vibrations