Geometry & MOs

Info

ID:	267592
PubChem CID:	103582899
Reduced:	BrClN3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	353.02944
ΔH_f, kcal/mol:	15.23
Dipole, Da:	1.15
IP(EA), eV:	-8.7(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-aminophenyl)methyl]-5-bromo-3-chloro-N-propan-2-ylpyridin-2-amine

Drug info:

PubChemData

Smile

CC1CCN(CC1CN)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations