Geometry & MOs

Info

ID:	221157
PubChem CID:	85257065
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	292.124549
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	8.25
IP(EA), eV:	-9.73(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(benzenesulfonyl)-4-hex-1-ynylpyrazolidine

Drug info:

PubChemData

Smile

CC(C)(C)OCC1CC(C=C1)N2C=NC3C2=NC=NC3=O

DOS

IR

Vibrations