Geometry & MOs

Info

ID:	245656
PubChem CID:	99455812
Reduced:	N3O3C24H35 (1)
Stoich.:	A3B3C24D35 (1)
Weight, g/mol:	413.267842
ΔH_f, kcal/mol:	-121.57
Dipole, Da:	5.71
IP(EA), eV:	-9.19(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,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)C2CCN(CC2)C(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations