Geometry & MOs

Info

ID:	331903
PubChem CID:	127250189
Reduced:	O3N5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	431.200905
ΔH_f, kcal/mol:	-24.27
Dipole, Da:	0.98
IP(EA), eV:	-8.29(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dihydroisoindol-2-yl)-1-[2-[5-[(4-fluorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)CN2CCOC(C2)C3=NC=C(C=C3)CC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations