Geometry & MOs

Info

ID:	267270
PubChem CID:	103581583
Reduced:	BrClNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	346.04475
ΔH_f, kcal/mol:	-30.03
Dipole, Da:	4.29
IP(EA), eV:	-9.34(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-chlorophenyl)methylamino]-N,N-diethylpropanamide

Drug info:

PubChemData

Smile

C1COCCC1NCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations