Geometry & MOs

Info

ID:	135834
PubChem CID:	51943371
Reduced:	N3O3C25H31 (1)
Stoich.:	A3B3C25D31 (1)
Weight, g/mol:	421.236542
ΔH_f, kcal/mol:	-93.01
Dipole, Da:	1.45
IP(EA), eV:	-8.7(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)N2CCC[C@H](C2)C(=O)NCC3=CC=CC=C3COC4=CC=CC=C4

DOS

IR

Vibrations