Geometry & MOs

Info

ID:	307760
PubChem CID:	125308899
Reduced:	N2O5H14C18 (1)
Stoich.:	A2B5C14D18 (1)
Weight, g/mol:	482.214033
ΔH_f, kcal/mol:	-154.29
Dipole, Da:	1.25
IP(EA), eV:	-9.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-benzhydrylpiperazin-1-yl)-6-[(4-methylphenyl)sulfanylmethyl]-5H-pyrimidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)[C@@H]2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations