Geometry & MOs

Info

ID:	191711
PubChem CID:	78180069
Reduced:	ClOSN4H17C22 (1)
Stoich.:	ABCD4E17F22 (1)
Weight, g/mol:	288.135304
ΔH_f, kcal/mol:	112.48
Dipole, Da:	1.63
IP(EA), eV:	-8.8(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]-1,3-diazinane-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

C=C1C(=CC(C2=C(C=CC3=CC=CC=C32)O)SC4=CC=C(C=C4)Cl)N=C(N=N1)N

DOS

IR

Vibrations