Geometry & MOs

Info

ID:	338593
PubChem CID:	127259604
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	-19.99
Dipole, Da:	9.73
IP(EA), eV:	-8.54(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-methyl-5-[(4-nitroanilino)methylidene]-6-oxocyclohexa-1,3-diene-1-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N/C=C/2\C=C(C=C(C2=O)C=O)C

DOS

IR

Vibrations