Geometry & MOs

Info

ID:	422116
PubChem CID:	135117230
Reduced:	O2N4C15H20 (1)
Stoich.:	A2B4C15D20 (1)
Weight, g/mol:	328.189926
ΔH_f, kcal/mol:	-34.73
Dipole, Da:	2.74
IP(EA), eV:	-8.96(0.34)
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-(pyrazin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=NN1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC=CN3C

DOS

IR

Vibrations