Geometry & MOs

Info

ID:	267266
PubChem CID:	103581579
Reduced:	BrClON2C15H20 (1)
Stoich.:	ABCD2E15F20 (1)
Weight, g/mol:	346.04475
ΔH_f, kcal/mol:	-41.36
Dipole, Da:	4.49
IP(EA), eV:	-9.38(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-bromo-3-chlorophenyl)methylamino]-N-butan-2-ylpropanamide

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)CCNCC2=CC(=C(C=C2)Br)Cl

DOS

IR

Vibrations