Geometry & MOs

Info

ID:	416370
PubChem CID:	135089383
Reduced:	NSO2C18H25 (1)
Stoich.:	ABC2D18E25 (1)
Weight, g/mol:	316.153541
ΔH_f, kcal/mol:	-28.06
Dipole, Da:	4.85
IP(EA), eV:	-8.78(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4R)-1-(2,6-dimethoxypyrimidin-4-yl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)CC3=CC=C(S3)C#CCO

DOS

IR

Vibrations