Geometry & MOs

Info

ID:	253480
PubChem CID:	103118703
Reduced:	O3N4C10H18 (1)
Stoich.:	A3B4C10D18 (1)
Weight, g/mol:	339.03309
ΔH_f, kcal/mol:	-94.49
Dipole, Da:	4.5
IP(EA), eV:	-10.03(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(5-bromopyridin-3-yl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C(C)O)N1C(=C(N=N1)C(=O)OC)CCN

DOS

IR

Vibrations