Geometry & MOs

Info

ID:	156995
PubChem CID:	56404814
Reduced:	SO2F3N3C24H30 (1)
Stoich.:	AB2C3D3E24F30 (1)
Weight, g/mol:	445.272927
ΔH_f, kcal/mol:	-217.64
Dipole, Da:	4.29
IP(EA), eV:	-8.97(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzylindol-3-yl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)CC2CCN(CC2)C(=O)C3=C(N=C(S3)C4=CC=C(C=C4)C(F)(F)F)C

DOS

IR

Vibrations