Geometry & MOs

Info

ID:	266924
PubChem CID:	103580082
Reduced:	BrClN4C11H12 (1)
Stoich.:	ABC4D11E12 (1)
Weight, g/mol:	331.04509
ΔH_f, kcal/mol:	65.11
Dipole, Da:	3.99
IP(EA), eV:	-8.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-3-chloro-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridin-2-amine

Drug info:

PubChemData

Smile

CN1C=C(C=N1)CCNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations