Geometry & MOs

Info

ID:	419495
PubChem CID:	135108278
Reduced:	ClO2N3C19H26 (1)
Stoich.:	AB2C3D19E26 (1)
Weight, g/mol:	367.189592
ΔH_f, kcal/mol:	-91.69
Dipole, Da:	7.28
IP(EA), eV:	-9.3(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-(1-methylindol-3-yl)ethanone

Drug info:

PubChemData

Smile

CN(CC(=O)NCCC1=CC=C(C=C1)Cl)[C@@H]2C[C@@H]3CC(=O)NC[C@@H]3C2

DOS

IR

Vibrations