Geometry & MOs

Info

ID:	17172
PubChem CID:	486747
Reduced:	OSN3C21H29 (1)
Stoich.:	ABC3D21E29 (1)
Weight, g/mol:	371.203134
ΔH_f, kcal/mol:	-24.38
Dipole, Da:	4.46
IP(EA), eV:	-8.63(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-2-butan-2-ylsulfanyl-5-(piperidin-1-ylmethyl)-1H-pyrimidin-4-one

Drug info:

PubChemData

Smile

CCC(C)SC1=NC(=O)C(=C(N1)CC2=CC=CC=C2)CN3CCCCC3

DOS

IR

Vibrations