Geometry & MOs

Info

ID:	245654
PubChem CID:	99455810
Reduced:	N2O3C21H28 (1)
Stoich.:	A2B3C21D28 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-106.59
Dipole, Da:	3.06
IP(EA), eV:	-8.68(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-1-[(Z)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C2=CC=C(C3=CC=CC=C32)OC

DOS

IR

Vibrations