Geometry & MOs

Info

ID:	419699
PubChem CID:	135108719
Reduced:	NOC11H15 (2)
Stoich.:	ABC11D15 (2)
Weight, g/mol:	321.125946
ΔH_f, kcal/mol:	-46.86
Dipole, Da:	1.78
IP(EA), eV:	-8.71(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C2=CC=CC=C2CN3CC[C@]4(CCCN([C@@H]4C3)C)CO

DOS

IR

Vibrations