Geometry & MOs

Info

ID:	443260
PubChem CID:	135258311
Reduced:	SF3O4N6H29C31 (1)
Stoich.:	AB3C4D6E29F31 (1)
Weight, g/mol:	316.215078
ΔH_f, kcal/mol:	-223.92
Dipole, Da:	6.99
IP(EA), eV:	-8.88(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2N=CC(=C3)C4=CC(=CC(=C4)NC(=O)OC(C)(C)C)C(F)(F)F)C5=NC(=NC=C5)NC

DOS

IR

Vibrations