Geometry & MOs

Info

ID:	329399
PubChem CID:	126736196
Reduced:	FO2N4C18H23 (1)
Stoich.:	AB2C4D18E23 (1)
Weight, g/mol:	285.043567
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	8.31
IP(EA), eV:	-8.54(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dichloro-2,3,4,4a,5,7-hexahydropyrazino[1,2-a][1,5]benzodiazepin-6-one

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(N1C)C(CF)N2CCN(CC2)C3=CC=CC=N3)O

DOS

IR

Vibrations