Geometry & MOs

Info

ID:	416933
PubChem CID:	135090813
Reduced:	SN2O2C16H24 (1)
Stoich.:	AB2C2D16E24 (1)
Weight, g/mol:	334.236876
ΔH_f, kcal/mol:	-74.62
Dipole, Da:	2.17
IP(EA), eV:	-8.93(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-2-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC=CS3)CO

DOS

IR

Vibrations