Geometry & MOs

Info

ID:	331615
PubChem CID:	127249624
Reduced:	O2N5C20H29 (1)
Stoich.:	A2B5C20D29 (1)
Weight, g/mol:	333.125946
ΔH_f, kcal/mol:	-36.91
Dipole, Da:	2.27
IP(EA), eV:	-8.72(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]pyridin-2-yl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NN2C(=CC=NC2=C1CN3CCOCC3)C4CCN(C4)C(=O)C(C)C

DOS

IR

Vibrations