Geometry & MOs

Info

ID:	414609
PubChem CID:	135087568
Reduced:	N2O4C17H24 (1)
Stoich.:	A2B4C17D24 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-171.3
Dipole, Da:	3.07
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-(2-methylpyrimidin-5-yl)methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC=C(C=C2)C(=O)N)C(=O)O

DOS

IR

Vibrations