Geometry & MOs

Info

ID:	61214
PubChem CID:	26707155
Reduced:	BrClNO4H15C18 (1)
Stoich.:	ABCD4E15F18 (1)
Weight, g/mol:	462.99345
ΔH_f, kcal/mol:	-123.53
Dipole, Da:	3.59
IP(EA), eV:	-8.75(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=C(C(=C2)Br)NC(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations