Geometry & MOs

Info

ID:	426833
PubChem CID:	135154095
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	438.180424
ΔH_f, kcal/mol:	-57.04
Dipole, Da:	2.66
IP(EA), eV:	-8.54(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-methyl-6-(4-oxo-1H-quinazolin-7-yl)pyrimidin-4-yl]piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1CC(CCC1C(=O)NN)N2C3=CC=CC=C3NC2=O

DOS

IR

Vibrations