Geometry & MOs

Info

ID:	448336
PubChem CID:	135290222
Reduced:	O2F3N3H28C33 (1)
Stoich.:	A2B3C3D28E33 (1)
Weight, g/mol:	315.194677
ΔH_f, kcal/mol:	-104.02
Dipole, Da:	6.57
IP(EA), eV:	-9.14(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,3-dihydroisoindol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F)C(=O)C5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)F

DOS

IR

Vibrations