Geometry & MOs

Info

ID:	270981
PubChem CID:	103639076
Reduced:	BrClON2H10C13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	283.05718
ΔH_f, kcal/mol:	9.44
Dipole, Da:	3.55
IP(EA), eV:	-9.38(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromo-2-methylphenyl)-2-ethylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Br)NC(=O)C2=NC(=CC=C2)Cl

DOS

IR

Vibrations