Geometry & MOs

Info

ID:	438510
PubChem CID:	135228252
Reduced:	FON6H13C14 (1)
Stoich.:	ABC6D13E14 (1)
Weight, g/mol:	444.09094
ΔH_f, kcal/mol:	78.12
Dipole, Da:	4.19
IP(EA), eV:	-8.68(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(5E)-5-[amino(bromo)methylidene]-6-ethenyl-9-methoxy-4H-triazolo[1,5-a][1,5]benzodiazepin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=C2CC3=C(N=CN3C4=C(N2N1)C=C(C=C4)F)/C(=N/O)/N

DOS

IR

Vibrations