Geometry & MOs

Info

ID:	423450
PubChem CID:	135119522
Reduced:	OSN4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	47.28
Dipole, Da:	5.52
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-4-(pyridin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C1CSCCN1CC2=NN=C(O2)C3=CN=CC=C3

DOS

IR

Vibrations