Geometry & MOs

Info

ID:	69405
PubChem CID:	47169935
Reduced:	BrClN2O2C14H14 (1)
Stoich.:	ABC2D2E14F14 (1)
Weight, g/mol:	261.111341
ΔH_f, kcal/mol:	-21.45
Dipole, Da:	3.84
IP(EA), eV:	-9.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CN(C)C(=O)C2=C(C=CC(=C2)Br)Cl

DOS

IR

Vibrations