Geometry & MOs

Info

ID:	251627
PubChem CID:	103105469
Reduced:	FO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	308.104003
ΔH_f, kcal/mol:	-54.92
Dipole, Da:	3.59
IP(EA), eV:	-9.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N(N=N1)CCN)C2=CC=C(C=C2)F

DOS

IR

Vibrations