Geometry & MOs

Info

ID:	438496
PubChem CID:	135228238
Reduced:	ClO2N6C17H17 (1)
Stoich.:	AB2C6D17E17 (1)
Weight, g/mol:	386.125802
ΔH_f, kcal/mol:	12.17
Dipole, Da:	6.76
IP(EA), eV:	-9.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[8-chloro-6-imino-3-(3-methyl-1,2-oxazol-5-yl)-4H-imidazo[1,5-a][1,4]benzodiazepin-5-yl]-2-methoxyethanamine

Drug info:

PubChemData

Smile

CCNC(=O)C1=C2CN3C(=NN=C3C4=C(N2C=N1)C=CC(=C4)Cl)COC

DOS

IR

Vibrations