Geometry & MOs

Info

ID:	267478
PubChem CID:	103582348
Reduced:	BrClN2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	368.06549
ΔH_f, kcal/mol:	44.73
Dipole, Da:	2.75
IP(EA), eV:	-8.75(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1-adamantyl)ethyl]-5-bromo-3-chloropyridin-2-amine

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations