Geometry & MOs

Info

ID:	251628
PubChem CID:	103105474
Reduced:	ClO2N4C14H17 (1)
Stoich.:	AB2C4D14E17 (1)
Weight, g/mol:	308.067618
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	3.73
IP(EA), eV:	-9.32(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(1-amino-1-oxopropan-2-yl)-5-(4-chlorophenyl)triazole-4-carboxylate

Drug info:

PubChemData

Smile

CN(C)CCN1C(=C(N=N1)C(=O)OC)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations