Geometry & MOs

Info

ID:	419261
PubChem CID:	135107851
Reduced:	O2N6C19H22 (1)
Stoich.:	A2B6C19D22 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	17.52
Dipole, Da:	9.56
IP(EA), eV:	-8.21(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C3(CCN(CC3)C4=CC5=NN=CN5C(=N4)N)OCC2

DOS

IR

Vibrations