Geometry & MOs

Info

ID:	216761
PubChem CID:	85086734
Reduced:	NOC20H29 (1)
Stoich.:	ABC20D29 (1)
Weight, g/mol:	300.074621
ΔH_f, kcal/mol:	-20.33
Dipole, Da:	2.16
IP(EA), eV:	-8.65(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(4-nitroanilino)methylidene]-4-oxocyclohexa-1,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(C(O2)CN3CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations