Geometry & MOs

Info

ID:	216721
PubChem CID:	85086670
Reduced:	ClNSO4C11H20 (1)
Stoich.:	ABCD4E11F20 (1)
Weight, g/mol:	295.03202
ΔH_f, kcal/mol:	-199.73
Dipole, Da:	3.17
IP(EA), eV:	-10.03(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-(butylamino)-6H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC(C)C1CCC2CC(C1O2)C(NS(=O)(=O)Cl)O

DOS

IR

Vibrations