Geometry & MOs

Info

ID:	137668
PubChem CID:	52242781
Reduced:	O3N4C22H29 (1)
Stoich.:	A3B4C22D29 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-92.04
Dipole, Da:	1.79
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.992418
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-N-[2-[[6-[(2R)-2-methylmorpholin-4-yl]pyridin-3-yl]methylamino]-2-oxoethyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCO1)C2=[NH+]C=C(C=C2)CNC(=O)CNC(=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations