Geometry & MOs

Info

ID:	155386
PubChem CID:	56353026
Reduced:	O2N5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	402.03275
ΔH_f, kcal/mol:	48.12
Dipole, Da:	4.84
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C=C2C(=O)NCCC3=NC(=NO3)C)C4=CC=CC=C4)C

DOS

IR

Vibrations