Geometry & MOs

Info

ID:	49925
PubChem CID:	11538180
Reduced:	Cl2O2N3C18H21 (1)
Stoich.:	A2B2C3D18E21 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	-41.92
Dipole, Da:	4.53
IP(EA), eV:	-9.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-methoxyphenyl)-2-(5-methyl-2-nitrophenyl)-1,2,4-triazole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC(=C(C=C2)Cl)Cl)OCCN3CCCC3)C(=O)C

DOS

IR

Vibrations