Geometry & MOs

Info

ID:	207667
PubChem CID:	80435186
Reduced:	ClIN2C17H18 (1)
Stoich.:	ABC2D17E18 (1)
Weight, g/mol:	274.113984
ΔH_f, kcal/mol:	71.51
Dipole, Da:	2.26
IP(EA), eV:	-9.55(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methylpropyl)-2-(phenylsulfanylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1=C(C(=NC(=N1)C2(CC2)C3=CC=CC=C3)Cl)I

DOS

IR

Vibrations