Geometry & MOs

Info

ID:	25524
PubChem CID:	626235
Reduced:	NOCl2H13C15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	528.09094
ΔH_f, kcal/mol:	-10.21
Dipole, Da:	4.76
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[5-benzyl-1-(4-bromophenyl)-6-oxo-2,5-dihydro-1,2,4-triazin-3-yl]ethylidene]hydrazinyl]indol-2-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N=CC2=C(C(=CC(=C2)Cl)Cl)O)C

DOS

IR

Vibrations