Geometry & MOs

Info

ID:	332097
PubChem CID:	127250383
Reduced:	SO3N5C20H21 (1)
Stoich.:	AB3C5D20E21 (1)
Weight, g/mol:	429.185255
ΔH_f, kcal/mol:	-16.28
Dipole, Da:	3.02
IP(EA), eV:	-8.99(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(2-fluorophenyl)pyridin-2-yl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)CC4=NN=C(S4)N

DOS

IR

Vibrations