Geometry & MOs

Info

ID:	135907
PubChem CID:	51956027
Reduced:	ClO2N4C21H25 (1)
Stoich.:	AB2C4D21E25 (1)
Weight, g/mol:	390.12811
ΔH_f, kcal/mol:	-34.22
Dipole, Da:	7.12
IP(EA), eV:	-8.72(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(6-chloropyridazin-3-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC=CC(=C2)NC(=O)[C@@H]3CCCN(C3)C4=NN=C(C=C4)Cl

DOS

IR

Vibrations