Geometry & MOs

Info

ID:	11516
PubChem CID:	117114
Reduced:	NO2C12H13 (2)
Stoich.:	AB2C12D13 (2)
Weight, g/mol:	406.189257
ΔH_f, kcal/mol:	-124.04
Dipole, Da:	3.13
IP(EA), eV:	-8.4(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2,5-bis(4-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=C(CC(=C(C2)C(=O)OC)NC3=CC=C(C=C3)C)C(=O)OC

DOS

IR

Vibrations