Geometry & MOs

Info

ID:	331235
PubChem CID:	127248642
Reduced:	FN3O4C24H28 (1)
Stoich.:	AB3C4D24E28 (1)
Weight, g/mol:	423.215806
ΔH_f, kcal/mol:	-161.01
Dipole, Da:	3.49
IP(EA), eV:	-8.95(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-3-methylphenyl)-1-[3-[3-(morpholine-4-carbonyl)pyridin-2-yl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=C(C=CC=N2)C(=O)N3CCOCC3)C(=O)CCCOC4=CC=CC=C4F

DOS

IR

Vibrations