Geometry & MOs

Info

ID:

141200

PubChem CID:

52836444

Reduced:

Cl2O2N3C18H20 (1)

Stoich.:

A2B2C3D18E20 (1)

Weight, g/mol:

379.085432

ΔHf, kcal/mol:

2.73

Dipole, Da:

6.02

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.877588

Charge, e:

0

Chem-info

IUPAC name:

N-[(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)methyl]-N-(furan-2-ylmethyl)-1-[(2S)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

C1C[C@H](OC1)C[NH+](CC2=CC=CO2)CC3=CN4C=C(C=C(C4=N3)Cl)Cl

DOS

IR

Vibrations