Geometry & MOs

Info

ID:	199093
PubChem CID:	79196698
Reduced:	ClION2C11H14 (1)
Stoich.:	ABCD2E11F14 (1)
Weight, g/mol:	274.142976
ΔH_f, kcal/mol:	-22.76
Dipole, Da:	2.36
IP(EA), eV:	-9.09(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-3-(methylamino)-N-[2-methyl-4-(1,3,4-oxadiazol-2-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CC(CNC)C(=O)NC1=C(C=C(C=C1)I)Cl

DOS

IR

Vibrations