Geometry & MOs

Info

ID:	327513
PubChem CID:	126690189
Reduced:	PN2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	472.262046
ΔH_f, kcal/mol:	48.0
Dipole, Da:	1.88
IP(EA), eV:	-8.97(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[1-[2-ethyl-3-[ethyl(2H-1,4-thiazin-3-yl)amino]-1-methyl-8aH-imidazo[1,2-b]pyridazin-6-yl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)CCC2=CC=C(C=C2)P

DOS

IR

Vibrations