Geometry & MOs

Info

ID:	289455
PubChem CID:	104354898
Reduced:	BrClFC18H21 (1)
Stoich.:	ABCD18E21 (1)
Weight, g/mol:	278.129824
ΔH_f, kcal/mol:	-73.62
Dipole, Da:	3.67
IP(EA), eV:	-9.74(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-(3-methyl-1-adamantyl)-1,3,5-triazin-2-amine

Drug info:

PubChemData

Smile

CC12CC3CC(C1)CC(C3)(C2)C(C4=CC(=C(C=C4)F)Br)Cl

DOS

IR

Vibrations