Geometry & MOs

Info

ID:	438513
PubChem CID:	135228255
Reduced:	ClON6H15C17 (1)
Stoich.:	ABC6D15E17 (1)
Weight, g/mol:	407.0593
ΔH_f, kcal/mol:	88.64
Dipole, Da:	3.91
IP(EA), eV:	-9.52(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2Z)-2-amino-2-(6-amino-3-bromo-8-methoxy-4H-imidazo[1,5-a][1,5]benzodiazepin-5-ylidene)acetate

Drug info:

PubChemData

Smile

CC[C@H]1COC(=N1)C2=C3CC4=CN=NN4C5=C(N3C=N2)C=CC(=C5)Cl

DOS

IR

Vibrations