Geometry & MOs

Info

ID:	333024
PubChem CID:	127251448
Reduced:	ClN2O2C23H27 (1)
Stoich.:	AB2C2D23E27 (1)
Weight, g/mol:	443.200905
ΔH_f, kcal/mol:	-68.04
Dipole, Da:	2.81
IP(EA), eV:	-9.4(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[(2-fluorophenyl)methyl]-6-methylpyridin-2-yl]morpholin-4-yl]-2-(1H-indol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)C(=O)C3CCCC3)CC4=CC(=CC=C4)Cl

DOS

IR

Vibrations