Geometry & MOs

Info

ID:	349397
PubChem CID:	127275184
Reduced:	ClO3N4C19H23 (1)
Stoich.:	AB3C4D19E23 (1)
Weight, g/mol:	396.179755
ΔH_f, kcal/mol:	-49.28
Dipole, Da:	5.39
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1H-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C(C1)C(=O)N2CCOCC2)CC3=NC(=NO3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations