Geometry & MOs

Info

ID:	201781
PubChem CID:	79582236
Reduced:	Cl2N2C15H16 (1)
Stoich.:	A2B2C15D16 (1)
Weight, g/mol:	309.070261
ΔH_f, kcal/mol:	24.38
Dipole, Da:	3.85
IP(EA), eV:	-8.38(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-5-chlorophenyl)methylsulfanyl]-6-propyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=CC(=CC=C1)Cl)CC2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations