Geometry & MOs

Info

ID:	414571
PubChem CID:	135087530
Reduced:	N3O5C20H23 (1)
Stoich.:	A3B5C20D23 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	6.77
IP(EA), eV:	-8.3(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=NC=CNC4=O)OC

DOS

IR

Vibrations