Geometry & MOs

Info

ID:	323112
PubChem CID:	126672631
Reduced:	OC17H20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	561.186685
ΔH_f, kcal/mol:	-32.47
Dipole, Da:	1.05
IP(EA), eV:	-9.01(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-chloro-1-[(Z)-[(methylideneamino)-[2-(prop-2-enoylamino)anilino]methylidene]amino]prop-1-enyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCCC1=CC(=CC(=C1)O)C2=CC=CC=C2C

DOS

IR

Vibrations