Geometry & MOs

Info

ID:	126838
PubChem CID:	50980872
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	303.078996
ΔH_f, kcal/mol:	53.14
Dipole, Da:	2.1
IP(EA), eV:	-8.74(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,1,3-benzoxadiazol-5-ylmethylamino)-N-(1,3-thiazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)N(C2=CC=CC=C12)CC3=NC(=NN3C4=CC=CC=N4)CC(C)C

DOS

IR

Vibrations