Geometry & MOs

Info

ID:	182339
PubChem CID:	76876590
Reduced:	BrO2N3H10C14 (1)
Stoich.:	AB2C3D10E14 (1)
Weight, g/mol:	263.109233
ΔH_f, kcal/mol:	23.67
Dipole, Da:	4.78
IP(EA), eV:	-9.08(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(dimethylamino)propyl]-2-sulfanylidene-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

C1=CC2C(=NC(=NC2=O)CN3C=C(C=CC3=O)Br)C=C1

DOS

IR

Vibrations