Geometry & MOs

Info

ID:	83945
PubChem CID:	49862765
Reduced:	ClN3O3H18C20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	258.173213
ΔH_f, kcal/mol:	-5.0
Dipole, Da:	3.22
IP(EA), eV:	-9.05(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(cyclohexylmethyl)-6-methyl-1,4-dihydroquinazolin-2-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=NN1C/C(=N/O)/C2=CC=CC=C2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations