Geometry & MOs

Info

ID:	177515
PubChem CID:	76196040
Reduced:	BrN3O4C26H26 (1)
Stoich.:	AB3C4D26E26 (1)
Weight, g/mol:	344.03717
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	13.36
IP(EA), eV:	-8.4(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(3-bromo-5-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-3-ethoxypropanehydrazide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC=C3C=C(C(=O)C(=C3)Br)OC

DOS

IR

Vibrations