Geometry & MOs

Info

ID:	307714
PubChem CID:	125308534
Reduced:	SN4O8C38H46 (1)
Stoich.:	AB4C8D38E46 (1)
Weight, g/mol:	287.163377
ΔH_f, kcal/mol:	-188.04
Dipole, Da:	2.65
IP(EA), eV:	-8.14(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(2-methoxyphenoxy)ethyl]-5-[(3R)-pyrrolidin-3-yl]-4H-pyrazole

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@H](CCSC)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)OC)OC)OC

DOS

IR

Vibrations