Geometry & MOs

Info

ID:	332005
PubChem CID:	127250291
Reduced:	ClO3N4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	410.119734
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	4.49
IP(EA), eV:	-9.07(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N)C(=O)CN2CCOC(C2)C3=NC=C(C=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations