Geometry & MOs

Info

ID:	243999
PubChem CID:	99309166
Reduced:	N2O3C25H38 (1)
Stoich.:	A2B3C25D38 (1)
Weight, g/mol:	412.158742
ΔH_f, kcal/mol:	-122.3
Dipole, Da:	4.97
IP(EA), eV:	-8.33(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloro-3-methylsulfonylphenyl)-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)C[C@H]2CCCN(C2)C(=O)/C=C/C3=CC(=C(C=C3)OC(C)C)OC

DOS

IR

Vibrations