Geometry & MOs

Info

ID:	85689
PubChem CID:	49878214
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	498.95653
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	2.35
IP(EA), eV:	-8.82(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[2-[2-[(Z)-(3-bromo-4-hydroxy-2,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

CCCCNC(=O)/N=C/C(=O)NC1=CC=C(C=C1)C

DOS

IR

Vibrations