Geometry & MOs

Info

ID:	131927
PubChem CID:	51282616
Reduced:	N2O2C23H28 (1)
Stoich.:	A2B2C23D28 (1)
Weight, g/mol:	389.173942
ΔH_f, kcal/mol:	-27.08
Dipole, Da:	3.32
IP(EA), eV:	-9.15(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(C2=CC=CC=C2)N3CCC(CC3)OCC4=CC=CC=C4

DOS

IR

Vibrations