Geometry & MOs

Info

ID:	253403
PubChem CID:	103118197
Reduced:	ON4H12C15 (1)
Stoich.:	AB4C12D15 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	76.06
Dipole, Da:	2.18
IP(EA), eV:	-8.19(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=N1)C3=NC4=C(O3)C=C(C=C4)N

DOS

IR

Vibrations