Geometry & MOs

Info

ID:	389091
PubChem CID:	134991122
Reduced:	NC17H20 (1)
Stoich.:	AB17C20 (1)
Weight, g/mol:	411.240959
ΔH_f, kcal/mol:	41.36
Dipole, Da:	2.26
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.056503
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,4R)-2-[methoxy(diphenyl)methyl]-4-(methoxymethoxy)pyrrolidin-1-yl]-2,2-dimethylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H](C=[N+]1CCCC1)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations