Geometry & MOs

Info

ID:	423534
PubChem CID:	135119689
Reduced:	NO4C22H27 (1)
Stoich.:	AB4C22D27 (1)
Weight, g/mol:	339.140533
ΔH_f, kcal/mol:	-136.79
Dipole, Da:	6.96
IP(EA), eV:	-9.1(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCOCCOC1=CC=CC(=C1)C(=O)N2CCC(C2)(C3=CC=CC=C3C)O

DOS

IR

Vibrations