Geometry & MOs

Info

ID:	267598
PubChem CID:	103582929
Reduced:	BrClN3C14H15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	340.99305
ΔH_f, kcal/mol:	46.19
Dipole, Da:	4.36
IP(EA), eV:	-8.44(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-amino-4-methoxyphenyl)methyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)N)N(C)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations