Geometry & MOs

Info

ID:	135792
PubChem CID:	51937271
Reduced:	O2F3N3C20H22 (1)
Stoich.:	A2B3C3D20E22 (1)
Weight, g/mol:	409.236542
ΔH_f, kcal/mol:	-174.96
Dipole, Da:	5.11
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)C(=O)C2=C(N(N=C2)C3=CC=CC(=C3)C(F)(F)F)C4CC4

DOS

IR

Vibrations