Geometry & MOs

Info

ID:	438546
PubChem CID:	135228289
Reduced:	ClO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	422.125802
ΔH_f, kcal/mol:	27.63
Dipole, Da:	4.62
IP(EA), eV:	-8.89(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzoxazol-2-yl)-8-chloro-5-(2-methoxyethanimidoyl)-8,9-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepin-6-imine

Drug info:

PubChemData

Smile

COCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C5=CCCCO5

DOS

IR

Vibrations