Geometry & MOs

Info

ID:	82116
PubChem CID:	49855637
Reduced:	ClN2O3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	329.137556
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	4.92
IP(EA), eV:	-9.47(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)(C2=CC=C(C=C2)Cl)C(=O)N3CCC4=C(C3)C=CC(=C4)C(=O)NO

DOS

IR

Vibrations