Geometry & MOs

Info

ID:	253460
PubChem CID:	103118602
Reduced:	N4O5C12H14 (1)
Stoich.:	A4B5C12D14 (1)
Weight, g/mol:	294.088353
ΔH_f, kcal/mol:	-111.88
Dipole, Da:	4.7
IP(EA), eV:	-9.58(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(2-aminoethyl)-1-[(2-chlorophenyl)methyl]triazole-4-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(N(N=N1)CC2=CC(=O)C(=CO2)O)CCN

DOS

IR

Vibrations