Geometry & MOs

Info

ID:	445581
PubChem CID:	135268320
Reduced:	FON2H27C28 (1)
Stoich.:	ABC2D27E28 (1)
Weight, g/mol:	561.08888
ΔH_f, kcal/mol:	-16.81
Dipole, Da:	6.05
IP(EA), eV:	-8.37(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[5-[difluoro(iodo)methyl]pyridin-2-yl]piperidin-4-yl]-1-[(4-fluorophenyl)methyl]indole

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N2CCC(CC2)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F

DOS

IR

Vibrations