Geometry & MOs

Info

ID:	276632
PubChem CID:	103824536
Reduced:	BrClFN2O3H7C13 (1)
Stoich.:	ABCD2E3F7G13 (1)
Weight, g/mol:	304.98182
ΔH_f, kcal/mol:	-42.11
Dipole, Da:	3.23
IP(EA), eV:	-9.43(-2.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-2-propan-2-yloxyacetamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])F)Cl)Br

DOS

IR

Vibrations