Geometry & MOs

Info

ID:	50580
PubChem CID:	12013130
Reduced:	ClNO2H6C10 (1)
Stoich.:	ABC2D6E10 (1)
Weight, g/mol:	254.985384
ΔH_f, kcal/mol:	12.92
Dipole, Da:	2.57
IP(EA), eV:	-9.77(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,4-dichlorophenyl)-(4-methyl-1,2-oxazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)C2=NOC=C2)Cl

DOS

IR

Vibrations