Geometry & MOs

Info

ID:	156558
PubChem CID:	56371126
Reduced:	O3N4C23H26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	373.076613
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	7.89
IP(EA), eV:	-8.88(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfonyl]ethyl]pyrazole

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CCC2=CCCCC2)C)C(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations