Geometry & MOs

Info

ID:	315539
PubChem CID:	126627523
Reduced:	OF2C13H20 (1)
Stoich.:	AB2C13D20 (1)
Weight, g/mol:	578.310435
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	4.12
IP(EA), eV:	-10.33(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-formyl-4-[4-[(E)-4-[2-[2-hydroxy-3-(methylamino)propyl]phenoxy]but-2-enoxy]-4-methylpiperidin-1-yl]-6-methylpyrazolo[1,5-a]pyridin-5-yl]acetate

Drug info:

PubChemData

Smile

CC1(CCC(CC1)C(C)(C)C(=C)F)C(=O)F

DOS

IR

Vibrations