Geometry & MOs

Info

ID:	40809
PubChem CID:	8144736
Reduced:	Br2O2N4C12H13 (1)
Stoich.:	A2B2C4D12E13 (1)
Weight, g/mol:	403.93065
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	10.13
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766174
Charge, e:	0

Chem-info

IUPAC name:

2-[(6,8-dibromo-4-oxo-1H-quinazolin-2-yl)methylamino]-N-methylacetamide

Drug info:

PubChemData

Smile

CNC(=O)C[NH2+]CC1=NC(=O)C2=C(N1)C(=CC(=C2)Br)Br

DOS

IR

Vibrations