Geometry & MOs

Info

ID:	266934
PubChem CID:	103580125
Reduced:	BrClON3C13H17 (1)
Stoich.:	ABCD3E13F17 (1)
Weight, g/mol:	303.01379
ΔH_f, kcal/mol:	-30.76
Dipole, Da:	2.81
IP(EA), eV:	-8.95(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-3-chloropyridin-2-yl)-N'-cyclopropyl-N'-methylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(=O)NCC1CCN(CC1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations