Geometry & MOs

Info

ID:	179099
PubChem CID:	76433415
Reduced:	SN3O5C16H21 (1)
Stoich.:	AB3C5D16E21 (1)
Weight, g/mol:	293.173942
ΔH_f, kcal/mol:	-196.15
Dipole, Da:	5.72
IP(EA), eV:	-9.45(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxybutyl)-5-(phenoxymethyl)pyrazolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C(C2)C(=O)NC(C3=O)C(C)O

DOS

IR

Vibrations