Geometry & MOs

Info

ID:	263327
PubChem CID:	103357480
Reduced:	N3O3C13H19 (1)
Stoich.:	A3B3C13D19 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-138.57
Dipole, Da:	6.8
IP(EA), eV:	-9.34(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-hydroxyprop-1-ynyl)-4-methylphenyl]sulfonyl-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1)C)CC(=O)N2CCC(C2)(C)O

DOS

IR

Vibrations