Geometry & MOs

Info

ID:	194293
PubChem CID:	78510864
Reduced:	SN4O4C20H22 (1)
Stoich.:	AB4C4D20E22 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	8.48
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[1-(4-methylphenyl)propylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C1CCC(C1)N2C(=CC=N2)NC(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

DOS

IR

Vibrations