Geometry & MOs

Info

ID:	134610
PubChem CID:	51725275
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	277.179027
ΔH_f, kcal/mol:	49.96
Dipole, Da:	4.85
IP(EA), eV:	-8.74(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)CC2=CC=C(C=C2)N3C=CC=N3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations