Geometry & MOs

Info

ID:	195586
PubChem CID:	78704962
Reduced:	FOCl2N3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	405.0688
ΔH_f, kcal/mol:	-21.13
Dipole, Da:	10.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.053781
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-bromophenyl)propylamino]-N-(2-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1Cl)Cl)F)[NH2+]C(C)C(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations