Geometry & MOs

Info

ID:	445506
PubChem CID:	135267498
Reduced:	N3O3F4C22H33 (1)
Stoich.:	A3B3C4D22E33 (1)
Weight, g/mol:	327.07501
ΔH_f, kcal/mol:	-299.75
Dipole, Da:	8.34
IP(EA), eV:	-8.9(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-methyl-2-[1-[3-(trifluoromethyl)anilino]ethenyl]pyridin-3-amine

Drug info:

PubChemData

Smile

CCCN(C)CCCNC(=O)C1C=C(C(=CC1F)NC/C(=C/OCC=C)/C(F)(F)F)OC

DOS

IR

Vibrations