Geometry & MOs

Info

ID:	177931
PubChem CID:	76253495
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	467.253255
ΔH_f, kcal/mol:	-40.32
Dipole, Da:	2.01
IP(EA), eV:	-9.35(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methyl-2-morpholin-4-yl-6-oxo-1,3-diazinan-5-yl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CCOC1=NC=CC(=C1)CNC(=O)CCCC2=NC(=O)C3C=CC=CC3=N2

DOS

IR

Vibrations