Geometry & MOs

Info

ID:	50438
PubChem CID:	12012975
Reduced:	N2O4H16C19 (1)
Stoich.:	A2B4C16D19 (1)
Weight, g/mol:	414.02152
ΔH_f, kcal/mol:	-75.71
Dipole, Da:	4.25
IP(EA), eV:	-8.83(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C(=NC4=CC=CC=C4C3=O)C2=O)OC

DOS

IR

Vibrations