Geometry & MOs

Info

ID:	419955
PubChem CID:	135110190
Reduced:	NOC7H10 (2)
Stoich.:	ABC7D10 (2)
Weight, g/mol:	348.195011
ΔH_f, kcal/mol:	-79.36
Dipole, Da:	3.11
IP(EA), eV:	-9.83(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-(quinolin-2-ylmethyl)-1-(2,5,6-trimethylpyrimidin-4-yl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCCC(=O)N[C@@H]1COC[C@H]1CC2=CC=NC=C2

DOS

IR

Vibrations