Geometry & MOs

Info

ID:	299779
PubChem CID:	117689364
Reduced:	ClION3H11C13 (1)
Stoich.:	ABCD3E11F13 (1)
Weight, g/mol:	231.98474
ΔH_f, kcal/mol:	65.95
Dipole, Da:	4.78
IP(EA), eV:	-9.05(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-bromo-3-methyl-1,2-oxazol-5-yl)methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=C2)I)N(C(=N3)Cl)C

DOS

IR

Vibrations