Geometry & MOs

Info

ID:	193898
PubChem CID:	78451962
Reduced:	F3N3O3H20C26 (1)
Stoich.:	A3B3C3D20E26 (1)
Weight, g/mol:	431.02808
ΔH_f, kcal/mol:	-196.05
Dipole, Da:	3.67
IP(EA), eV:	-9.49(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-bromo-3-(3-fluorobenzoyl)-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione

Drug info:

PubChemData

Smile

C1CN2C(CN1C(=O)C3=CC=CC=C3)C(=O)NC4=C(C2=O)C=C(C=C4)C5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations