Geometry & MOs

Info

ID:	331667
PubChem CID:	127249750
Reduced:	FON6C20H21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	430.215095
ΔH_f, kcal/mol:	5.8
Dipole, Da:	1.32
IP(EA), eV:	-8.85(-0.75)
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]-2-(4-methylpiperidin-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CC(=NC(=N1)C)N2CCOC(C2)C3=NC(=CC=C3)NC4=NC=C(C=C4)F

DOS

IR

Vibrations