Geometry & MOs

Info

ID:	439160
PubChem CID:	135228925
Reduced:	FN2C22H29 (1)
Stoich.:	AB2C22D29 (1)
Weight, g/mol:	428.319149
ΔH_f, kcal/mol:	34.21
Dipole, Da:	0.96
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-2-[2-[4-[1-[(Z)-1-phenylbut-2-en-2-yl]piperidin-4-yl]butan-2-yl]phenyl]prop-1-enyl]ethanimine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1F)C2=CNN2CC(=C)C3CCC(CC3)CC4CC4

DOS

IR

Vibrations