Geometry & MOs

Info

ID:	421723
PubChem CID:	135116502
Reduced:	NO4C19H21 (1)
Stoich.:	AB4C19D21 (1)
Weight, g/mol:	350.185509
ΔH_f, kcal/mol:	-115.48
Dipole, Da:	6.1
IP(EA), eV:	-8.97(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C3(CCN(CC3)C(=O)C4=CC=CO4)OCC2

DOS

IR

Vibrations