Geometry & MOs

Info

ID:	151926
PubChem CID:	56310758
Reduced:	F2N3O3C24H29 (1)
Stoich.:	A2B3C3D24E29 (1)
Weight, g/mol:	416.184841
ΔH_f, kcal/mol:	-202.31
Dipole, Da:	4.53
IP(EA), eV:	-9.08(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NCCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations