Geometry & MOs

Info

ID:	55659
PubChem CID:	17395749
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	351.05824
ΔH_f, kcal/mol:	-73.75
Dipole, Da:	4.16
IP(EA), eV:	-8.98(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3O

DOS

IR

Vibrations