Geometry & MOs

Info

ID:	438529
PubChem CID:	135228272
Reduced:	ClFO2N6C26H26 (1)
Stoich.:	ABC2D6E26F26 (1)
Weight, g/mol:	255.148396
ΔH_f, kcal/mol:	20.09
Dipole, Da:	4.1
IP(EA), eV:	-9.42(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-(1-aminoethylidene)-3-methyl-4H-imidazo[1,5-a][1,5]benzodiazepin-6-amine

Drug info:

PubChemData

Smile

C/C=C(\C=C/C(=C)[C@H]1COC(=N1)C2=C3CN4C(=NN=C4C5=C(N3C=N2)C=CC(=C5)Cl)COC(C)C)/F

DOS

IR

Vibrations