Geometry & MOs

Info

ID:	422948
PubChem CID:	135118667
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	348.169859
ΔH_f, kcal/mol:	-2.83
Dipole, Da:	2.3
IP(EA), eV:	-9.15(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methyl-2-(4-quinazolin-4-ylpiperazin-1-yl)pyrimidin-5-yl]ethanone

Drug info:

PubChemData

Smile

CCCC1=NC(=CS1)CNC(=O)C2=CC=CN2C

DOS

IR

Vibrations