Geometry & MOs

Info

ID:	419418
PubChem CID:	135108137
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	373.119319
ΔH_f, kcal/mol:	-14.24
Dipole, Da:	3.52
IP(EA), eV:	-8.59(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1H-indol-2-yl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=NC=N1)N2C[C@H]3CN([C@@H](C2)COC3)C

DOS

IR

Vibrations