Geometry & MOs

Info

ID:	157036
PubChem CID:	56413043
Reduced:	ClN2O2C24H35 (1)
Stoich.:	AB2C2D24E35 (1)
Weight, g/mol:	424.138755
ΔH_f, kcal/mol:	-106.87
Dipole, Da:	2.75
IP(EA), eV:	-8.99(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloro-6-fluoro-1-benzothiophen-2-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(CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations