Geometry & MOs

Info

ID:	56712
PubChem CID:	22388674
Reduced:	FN2C14H15 (2)
Stoich.:	AB2C14D15 (2)
Weight, g/mol:	433.289326
ΔH_f, kcal/mol:	-15.25
Dipole, Da:	4.81
IP(EA), eV:	-8.55(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-3-cyclohexylimino-1-(2-methylphenyl)-3-(2-methylpiperidin-1-yl)prop-1-enyl]-4-fluoroaniline

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)/C(=N/C(=NC2=CC=C(C=C2)F)N3CCCCCC3)/NC4=CC=C(C=C4)F

DOS

IR

Vibrations