Geometry & MOs

Info

ID:	331125
PubChem CID:	127248532
Reduced:	SN3O5C19H27 (1)
Stoich.:	AB3C5D19E27 (1)
Weight, g/mol:	431.197569
ΔH_f, kcal/mol:	-146.61
Dipole, Da:	3.58
IP(EA), eV:	-8.33(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[5-[2-(3-chlorophenoxy)ethyl]-1-methylpyrazol-3-yl]morpholin-4-yl]-cyclohexylmethanone

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCOC(C1)C2=NN(C(=C2)CCOC3=CC=C(C=C3)OC)C

DOS

IR

Vibrations