Geometry & MOs

Info

ID:	416629
PubChem CID:	135089851
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	358.211724
ΔH_f, kcal/mol:	-169.25
Dipole, Da:	3.91
IP(EA), eV:	-9.02(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)CC3=CC4=CC=CC=C4C=C3)OC[C@@H]1O)O

DOS

IR

Vibrations