Geometry & MOs

Info

ID:	242966
PubChem CID:	99214594
Reduced:	OF3N4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	462.266462
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	5.6
IP(EA), eV:	-8.26(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[3-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1CN2CCN(CC2)C3=CC=CC(=C3)NC(=O)C4CCN(CC4)CC(F)(F)F

DOS

IR

Vibrations