Geometry & MOs

Info

ID:	122432
PubChem CID:	50806415
Reduced:	SO2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	456.26376
ΔH_f, kcal/mol:	49.31
Dipole, Da:	9.63
IP(EA), eV:	-9.19(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CSC2=NN=C3N2C=CN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations