Geometry & MOs

Info

ID:	142881
PubChem CID:	53107573
Reduced:	O3N4C25H36 (1)
Stoich.:	A3B4C25D36 (1)
Weight, g/mol:	414.172562
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	5.83
IP(EA), eV:	-9.62(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-morpholin-4-yl-N-(3-propylsulfanylpropyl)-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C(=CC(=O)N(C1=O)C(C)C)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(C)(C)C

DOS

IR

Vibrations