Geometry & MOs

Info

ID:	40212
PubChem CID:	8143758
Reduced:	F2N3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	375.182101
ΔH_f, kcal/mol:	-222.58
Dipole, Da:	3.32
IP(EA), eV:	-9.25(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CN2CCCC2)CCC3=CC=C(C=C3)OC(F)F

DOS

IR

Vibrations