Geometry & MOs

Info

ID:	178887
PubChem CID:	76396948
Reduced:	O4N5C21H25 (1)
Stoich.:	A4B5C21D25 (1)
Weight, g/mol:	528.9498
ΔH_f, kcal/mol:	-16.26
Dipole, Da:	7.32
IP(EA), eV:	-8.66(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-N-(4-iodo-2-methylphenyl)-4-oxobutanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NCC(=O)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCCCC3

DOS

IR

Vibrations