Geometry & MOs

Info

ID:	139349
PubChem CID:	52514142
Reduced:	N3O4C19H19 (1)
Stoich.:	A3B4C19D19 (1)
Weight, g/mol:	356.156992
ΔH_f, kcal/mol:	-51.47
Dipole, Da:	6.56
IP(EA), eV:	-8.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3R)-3-(4-fluorophenyl)butanoyl]piperidin-4-yl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)N2CCC[C@H]2C(=O)NC3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations