Geometry & MOs

Info

ID:	343004
PubChem CID:	127266167
Reduced:	FSO2N3C14H16 (1)
Stoich.:	ABC2D3E14F16 (1)
Weight, g/mol:	341.221561
ΔH_f, kcal/mol:	-63.29
Dipole, Da:	3.26
IP(EA), eV:	-9.41(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-propylhex-2-en-1-one

Drug info:

PubChemData

Smile

CC(CO)N(C)NC(=O)C1=CSC(=N1)C2=CC=C(C=C2)F

DOS

IR

Vibrations