Geometry & MOs

Info

ID:	285875
PubChem CID:	104134259
Reduced:	ClN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	236.071641
ΔH_f, kcal/mol:	-136.77
Dipole, Da:	3.77
IP(EA), eV:	-10.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-6-propan-2-yl-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)NC(CC(C)C)C(=O)OC)Cl

DOS

IR

Vibrations