Geometry & MOs

Info

ID:	84977
PubChem CID:	49871095
Reduced:	BrClNOF2H3C6 (1)
Stoich.:	ABCDE2F3G6 (1)
Weight, g/mol:	388.156912
ΔH_f, kcal/mol:	-121.87
Dipole, Da:	2.73
IP(EA), eV:	-9.89(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]sulfanyl-6-methyl-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)Br)OC(F)(F)Cl

DOS

IR

Vibrations