Geometry & MOs

Info

ID:	143078
PubChem CID:	53143570
Reduced:	OSN4H20C24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	441.252861
ΔH_f, kcal/mol:	77.05
Dipole, Da:	4.94
IP(EA), eV:	-8.38(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methylphenyl)-4-pyridin-4-ylpyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC=C(C(=N2)C3=CC=NC=C3)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations