Geometry & MOs

Info

ID:	172575
PubChem CID:	75526604
Reduced:	ON5C15H17 (1)
Stoich.:	AB5C15D17 (1)
Weight, g/mol:	258.057532
ΔH_f, kcal/mol:	43.31
Dipole, Da:	8.27
IP(EA), eV:	-9.4(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-thiazol-2-ylmethylamino)-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(CNC1=NC(=O)C2=CC=CC=C2N1)CN3C=CC=N3

DOS

IR

Vibrations