Geometry & MOs

Info

ID:	85645
PubChem CID:	49877841
Reduced:	N3O4H21C23 (1)
Stoich.:	A3B4C21D23 (1)
Weight, g/mol:	459.179421
ΔH_f, kcal/mol:	-57.89
Dipole, Da:	3.25
IP(EA), eV:	-8.32(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-3-[2-[(E)-(3-ethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]hydrazinyl]-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NN/C=C\3/C=C(C=CC3=O)OC

DOS

IR

Vibrations