Geometry & MOs

Info

ID:	82521
PubChem CID:	49856132
Reduced:	O4N6C31H32 (1)
Stoich.:	A4B6C31D32 (1)
Weight, g/mol:	567.248169
ΔH_f, kcal/mol:	-54.49
Dipole, Da:	6.78
IP(EA), eV:	-8.64(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-9-yl)dibenzofuran-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC(=O)NC2=C3C4=CC=CC=C4OC3=C(C=C2)C5=CC=CN6C5=NC(=CC6=O)N7CCOCC7

DOS

IR

Vibrations