Geometry & MOs

Info

ID:	267479
PubChem CID:	103582349
Reduced:	BrClN2C17H22 (1)
Stoich.:	ABC2D17E22 (1)
Weight, g/mol:	370.00837
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	3.14
IP(EA), eV:	-8.65(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(C12CC3CC(C1)CC(C3)C2)NC4=C(C=C(C=N4)Br)Cl

DOS

IR

Vibrations