Geometry & MOs

Info

ID:	20539
PubChem CID:	584542
Reduced:	ON2C10H12 (2)
Stoich.:	AB2C10D12 (2)
Weight, g/mol:	352.189926
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	6.27
IP(EA), eV:	-8.64(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[[4-oxo-4-(2,4,6-trimethylanilino)butan-2-ylidene]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CC(=NNC(=O)C2=CC=C(C=C2)N)C)C

DOS

IR

Vibrations