Geometry & MOs

Info

ID:	240787
PubChem CID:	93617548
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	326.174276
ΔH_f, kcal/mol:	-85.06
Dipole, Da:	3.79
IP(EA), eV:	-8.97(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC(=O)NCC2=CC=C(C=C2)OC[C@H]3CCCO3)C

DOS

IR

Vibrations