Geometry & MOs

Info

ID:	244380
PubChem CID:	99350544
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-35.66
Dipole, Da:	3.31
IP(EA), eV:	-8.28(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC[C@H]3CCN(C3)C4=CC=CC=C4OC

DOS

IR

Vibrations