Geometry & MOs

Info

ID:	54540
PubChem CID:	17388855
Reduced:	Cl3N3H8C11 (1)
Stoich.:	A3B3C8D11 (1)
Weight, g/mol:	243.11384
ΔH_f, kcal/mol:	73.69
Dipole, Da:	1.2
IP(EA), eV:	-9.31(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclohexylamino)-6-methyl-1H-pyrimidin-4-one;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)N=C(C(Cl)Cl)N2C=CC=N2)Cl

DOS

IR

Vibrations