Geometry & MOs

Info

ID:	82744
PubChem CID:	49856440
Reduced:	N2S3O6C30H36 (1)
Stoich.:	A2B3C6D30E36 (1)
Weight, g/mol:	334.179361
ΔH_f, kcal/mol:	-142.54
Dipole, Da:	5.14
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridin-2-ylmethoxy)-N,N-bis(pyridin-2-ylmethyl)ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C2C=CC(=NC2=C1)CSCCSCCSCC3=NC4=CC(=C(C(=C4C=C3)OC)OC)OC)OC)OC

DOS

IR

Vibrations