Geometry & MOs

Info

ID:	276645
PubChem CID:	103824571
Reduced:	BrClNO2H11C13 (1)
Stoich.:	ABCD2E11F13 (1)
Weight, g/mol:	330.99747
ΔH_f, kcal/mol:	-40.92
Dipole, Da:	5.43
IP(EA), eV:	-9.19(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-(oxan-2-yl)acetamide

Drug info:

PubChemData

Smile

C1=COC(=C1)CCC(=O)NC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations