Geometry & MOs

Info

ID:	426484
PubChem CID:	135144424
Reduced:	N6C27H38 (1)
Stoich.:	A6B27C38 (1)
Weight, g/mol:	318.116841
ΔH_f, kcal/mol:	77.35
Dipole, Da:	7.89
IP(EA), eV:	-8.01(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[(4-phenoxyanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CN(C)CCN(C)C1=CC(=C(C=C1)C#N)CN2CCN(CC2)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations