Geometry & MOs

Info

ID:	181783
PubChem CID:	76791812
Reduced:	ClN2O2C26H41 (1)
Stoich.:	AB2C2D26E41 (1)
Weight, g/mol:	432.270755
ΔH_f, kcal/mol:	-148.89
Dipole, Da:	2.77
IP(EA), eV:	-8.84(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-chlorocyclohexa-1,5-dien-1-yl)-3,3-dimethylpiperidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCC(C(C1)(C)C)C2=CC=C(CC2)Cl)NC(=O)CC3CCCCC3

DOS

IR

Vibrations