Geometry & MOs

Info

ID:	420053
PubChem CID:	135110904
Reduced:	ON4C18H30 (1)
Stoich.:	AB4C18D30 (1)
Weight, g/mol:	387.134969
ΔH_f, kcal/mol:	-23.97
Dipole, Da:	5.2
IP(EA), eV:	-8.37(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-chloro-6-methyl-1-benzofuran-3-yl)-1-[(3R,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=CN=C(C=C3)N(C)C)CO

DOS

IR

Vibrations