Geometry & MOs

Info

ID:	70643
PubChem CID:	48413646
Reduced:	O4N5C21H27 (1)
Stoich.:	A4B5C21D27 (1)
Weight, g/mol:	356.104003
ΔH_f, kcal/mol:	-106.08
Dipole, Da:	1.54
IP(EA), eV:	-9.63(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1(C(=O)N(C(=O)N1)CC(=O)NC(C2=NC(=NO2)C3=CC=CC=C3)C(C)C)CC

DOS

IR

Vibrations