Geometry & MOs

Info

ID:	50437
PubChem CID:	12012974
Reduced:	SN2O3H14C16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-52.01
Dipole, Da:	4.67
IP(EA), eV:	-8.47(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCN3C2=NC4=C(C3=O)SC=C4)OC

DOS

IR

Vibrations