Geometry & MOs

Info

ID:	41420
PubChem CID:	8145852
Reduced:	ClO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-76.37
Dipole, Da:	11.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771206
Charge, e:	0

Chem-info

IUPAC name:

4-methoxy-N-[(E)-[4-oxo-4-(4-propan-2-ylanilino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C(=O)N(C1=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations