Geometry & MOs

Info

ID:	431109
PubChem CID:	135171179
Reduced:	N2F3C11H13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	461.24269
ΔH_f, kcal/mol:	-136.26
Dipole, Da:	3.38
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1-benzofuran-5-yl)-N-[[6-[4-(6-methoxypyridin-3-yl)oxypiperidin-1-yl]-5-methylpyridazin-3-yl]methyl]methanamine

Drug info:

PubChemData

Smile

CCC1=NC(=C(C=C1C(F)(F)F)N)C(=C)C

DOS

IR

Vibrations