Geometry & MOs

Info

ID:	187788
PubChem CID:	77623313
Reduced:	ClO2N3H14C17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	592.26857
ΔH_f, kcal/mol:	17.26
Dipole, Da:	5.0
IP(EA), eV:	-8.98(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[4-(3-aminopropoxy)-3-methoxyphenyl]-3-[2-(4-morpholin-4-ylphenoxy)ethyl]benzo[b][1,4]benzodiazepin-6-one

Drug info:

PubChemData

Smile

C1COCCN1C2=CC3=NC4=C(C=CC(=C4)Cl)C(=O)N=C3C=C2

DOS

IR

Vibrations