Geometry & MOs

Info

ID:	50439
PubChem CID:	12012976
Reduced:	BrN2O4H15C19 (1)
Stoich.:	AB2C4D15E19 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-71.01
Dipole, Da:	4.71
IP(EA), eV:	-8.85(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,8,9-tetramethoxy-11,12-dihydroquinazolino[3,2-c][3]benzazepine-6,14-dione

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C(=NC4=C(C3=O)C=C(C=C4)Br)C2=O)OC

DOS

IR

Vibrations