Geometry & MOs

Info

ID:	129234
PubChem CID:	51072019
Reduced:	FNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	373.09819
ΔH_f, kcal/mol:	-103.38
Dipole, Da:	4.11
IP(EA), eV:	-9.26(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-chloro-5-(4-cyanoanilino)phenoxy]-3,5-dimethylbenzonitrile

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)C2=C(C=C(C=C2)F)C=O

DOS

IR

Vibrations