Geometry & MOs

Info

ID:	15929
PubChem CID:	455469
Reduced:	ClON3H14C18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	323.08254
ΔH_f, kcal/mol:	76.01
Dipole, Da:	2.45
IP(EA), eV:	-9.05(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-cyclopropyl-4-(2-pyridin-3-ylethynyl)-1,3-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

C1CC1C2(C3=C(C=CC(=C3)Cl)NC(=O)N2)C#CC4=CN=CC=C4

DOS

IR

Vibrations