Geometry & MOs

Info

ID:	51230
PubChem CID:	12013870
Reduced:	Br2O2N4H20C23 (1)
Stoich.:	A2B2C4D20E23 (1)
Weight, g/mol:	558.0089
ΔH_f, kcal/mol:	-0.01
Dipole, Da:	6.36
IP(EA), eV:	-9.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-[[3-[(6-bromo-4-oxo-1H-quinazolin-2-yl)methyl]-2,2-dimethylcyclobutyl]methyl]-1H-quinazolin-4-one

Drug info:

PubChemData

Smile

CC1(C(CC1C2=NC(=O)C3=C(N2)C=CC(=C3)Br)CC4=NC(=O)C5=C(N4)C=CC(=C5)Br)C

DOS

IR

Vibrations