Geometry & MOs

Info

ID:	332459
PubChem CID:	127250745
Reduced:	ClSN4O4C19H27 (1)
Stoich.:	ABC4D4E19F27 (1)
Weight, g/mol:	407.220892
ΔH_f, kcal/mol:	-119.18
Dipole, Da:	3.87
IP(EA), eV:	-9.01(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-(3-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(3-methylphenyl)methyl]morpholine

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCOC(C1)C2=NNC(=C2)CCOC3=CC=C(C=C3)Cl

DOS

IR

Vibrations