Geometry & MOs

Info

ID:	266918
PubChem CID:	103580061
Reduced:	BrClON3C12H15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	339.9978
ΔH_f, kcal/mol:	-9.96
Dipole, Da:	4.21
IP(EA), eV:	-8.72(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[[3-(methoxymethyl)phenyl]methyl]pyridin-2-amine

Drug info:

PubChemData

Smile

C1CC1NC(=O)CCCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations