Geometry & MOs

Info

ID:	420845
PubChem CID:	135114920
Reduced:	SN2O2C17H18 (1)
Stoich.:	AB2C2D17E18 (1)
Weight, g/mol:	340.153541
ΔH_f, kcal/mol:	-28.21
Dipole, Da:	5.3
IP(EA), eV:	-9.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)C(=O)C3=CC=NC=C3)C4=C1SC=C4

DOS

IR

Vibrations