Geometry & MOs

Info

ID:	327393
PubChem CID:	126689782
Reduced:	IC12H17 (1)
Stoich.:	AB12C17 (1)
Weight, g/mol:	770.07385
ΔH_f, kcal/mol:	30.02
Dipole, Da:	2.44
IP(EA), eV:	-9.34(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[1-[(Z)-1-[[6-(4-fluorophenyl)pyridin-2-yl]-methylamino]-2,3-diiodoprop-1-enyl]-6-iminopyridazin-3-yl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1(CC2(CC3CC(=C1)C3C2)I)C

DOS

IR

Vibrations