Geometry & MOs

Info

ID:	135819
PubChem CID:	51940478
Reduced:	N2O4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	426.218843
ΔH_f, kcal/mol:	-106.74
Dipole, Da:	6.55
IP(EA), eV:	-8.24(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)OCC(C)C)OC)NC(=O)[C@H](C)OC2=CC=CC=C2C#N

DOS

IR

Vibrations