Geometry & MOs

Info

ID:	130964
PubChem CID:	51136341
Reduced:	ClO7H13C17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	397.142641
ΔH_f, kcal/mol:	-239.89
Dipole, Da:	2.38
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[hydroxy(phenyl)methyl]-6-methyl-7H-quinazolino[3,2-a][1,4]benzodiazepine-5,13-dione

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1Cl)OC3=C(C2=O)C(=C(C(=C3)O)OC)C(=O)OC)O

DOS

IR

Vibrations