Geometry & MOs

Info

ID:	266954
PubChem CID:	103580203
Reduced:	BrClN4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	363.03492
ΔH_f, kcal/mol:	60.57
Dipole, Da:	5.23
IP(EA), eV:	-8.71(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(5-bromo-3-chloropyridin-2-yl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CN1C=CN=C1CNC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations