Geometry & MOs

Info

ID:	135644
PubChem CID:	51908629
Reduced:	SN3O8C18H23 (1)
Stoich.:	AB3C8D18E23 (1)
Weight, g/mol:	372.252526
ΔH_f, kcal/mol:	-251.64
Dipole, Da:	9.02
IP(EA), eV:	-10.38(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-2-yl]ethanol

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

DOS

IR

Vibrations