Geometry & MOs

Info

ID:	416664
PubChem CID:	135089992
Reduced:	ON5C14H21 (1)
Stoich.:	AB5C14D21 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	20.9
Dipole, Da:	1.86
IP(EA), eV:	-9.11(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-dimethylpyrazol-4-yl)-2-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCN2C=NC=N2)C(=O)C3CC=CC3

DOS

IR

Vibrations