Geometry & MOs

Info

ID:	242782
PubChem CID:	99206298
Reduced:	FN4O4C23H23 (1)
Stoich.:	AB4C4D23E23 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-72.06
Dipole, Da:	7.38
IP(EA), eV:	-9.01(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-[4-[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoyl]phenyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=N1)NC2=C(C=C(C=C2)C(=O)N[C@H](C)C3=C(C=CC(=C3)F)OC)[N+](=O)[O-]

DOS

IR

Vibrations