Geometry & MOs

Info

ID:	342569
PubChem CID:	127265729
Reduced:	ClON5C15H18 (1)
Stoich.:	ABC5D15E18 (1)
Weight, g/mol:	285.15896
ΔH_f, kcal/mol:	45.61
Dipole, Da:	3.94
IP(EA), eV:	-9.33(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-(3-methylphenyl)-N-[2-(2H-tetrazol-5-yl)propyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(CN(C)C(=O)C(=CC1=CC=CC=C1Cl)C)C2=NNN=N2

DOS

IR

Vibrations