Geometry & MOs

Info

ID:	442716
PubChem CID:	135255926
Reduced:	OH23C40 (2)
Stoich.:	AB23C40 (2)
Weight, g/mol:	251.152144
ΔH_f, kcal/mol:	283.39
Dipole, Da:	3.27
IP(EA), eV:	-8.15(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[6-(hydroxymethyl)pyridin-2-yl]-4-methylpentanoate

Drug info:

Smile

C1=CC=C2C=C(C=CC2=C1)C3=C4C=CC=CC4=C(C5=CC=CC=C53)C6=C7C(=CC8=CC=CC=C86)C9=C(C=CC=C9O7)C1=CC=CC2=C1C=CC=C2C1=C2C=CC=CC2=C(C2=CC=CC=C21)C1=C2C(=CC3=CC=CC=C31)C1=CC=CC=C1O2

DOS

IR

Vibrations