Geometry & MOs

Info

ID:	190246
PubChem CID:	77976232
Reduced:	N2O7H22C24 (1)
Stoich.:	A2B7C22D24 (1)
Weight, g/mol:	424.153541
ΔH_f, kcal/mol:	-200.7
Dipole, Da:	12.89
IP(EA), eV:	-9.16(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(1H-indol-3-ylmethyl)-7,9a-dihydroquinazolino[3,2-d][1,4]benzodiazepine-6,9-dione;hydrate

Drug info:

PubChemData

Smile

CCC(=O)OCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=[N+](C5=CC=CC=C51)[O-]

DOS

IR

Vibrations