Geometry & MOs

Info

ID:	305733
PubChem CID:	124967127
Reduced:	ClN3O3H20C21 (1)
Stoich.:	AB3C3D20E21 (1)
Weight, g/mol:	367.225977
ΔH_f, kcal/mol:	-42.6
Dipole, Da:	6.45
IP(EA), eV:	-9.43(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-1-[(3S)-3-[6-methyl-4-(4-methylanilino)pyridin-2-yl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N2CCO[C@@H](C2)C3=NC=C(O3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations