Geometry & MOs

Info

ID:	20603
PubChem CID:	584810
Reduced:	Cl3N3C16H16 (1)
Stoich.:	A3B3C16D16 (1)
Weight, g/mol:	355.040981
ΔH_f, kcal/mol:	13.89
Dipole, Da:	7.86
IP(EA), eV:	-9.25(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-adamantylamino)-2,4,5-trichloropyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=C(C(=N4)Cl)C#N)Cl)Cl

DOS

IR

Vibrations