Geometry & MOs

Info

ID:	423499
PubChem CID:	135119610
Reduced:	O2N5C17H25 (1)
Stoich.:	A2B5C17D25 (1)
Weight, g/mol:	342.194343
ΔH_f, kcal/mol:	-55.08
Dipole, Da:	5.22
IP(EA), eV:	-9.24(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=CN=CC(=N2)NC3CC4(CCNCC4)OC3

DOS

IR

Vibrations