Geometry & MOs

Info

ID:	419878
PubChem CID:	135109555
Reduced:	O2N3C21H25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-39.92
Dipole, Da:	5.81
IP(EA), eV:	-8.65(-0.8)
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]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)N2CCN(CC2)C(=O)CCCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations