Geometry & MOs

Info

ID:	379537
PubChem CID:	134441787
Reduced:	Cl5H5C9 (1)
Stoich.:	A5B5C9 (1)
Weight, g/mol:	538.236261
ΔH_f, kcal/mol:	1.27
Dipole, Da:	2.57
IP(EA), eV:	-9.71(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[5-[1-[2-chloro-3-[3-(1,1-difluoroethyl)-4,5-dimethylphenyl]-2-methylcyclopropyl]ethenylamino]-2-methylphenyl]ethenyl]-2-fluoro-4-methylaniline

Drug info:

PubChemData

Smile

C1[C@@H](C1(Cl)Cl)C2=CC(=C(C(=C2)Cl)Cl)Cl

DOS

IR

Vibrations