Geometry & MOs

Info

ID:	176632
PubChem CID:	76075911
Reduced:	O2C13H18 (2)
Stoich.:	A2B13C18 (2)
Weight, g/mol:	469.259009
ΔH_f, kcal/mol:	-143.07
Dipole, Da:	4.39
IP(EA), eV:	-9.17(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-1-(2-methylphenyl)-3-[[4-[2-(tetrazolidin-5-yl)pyridin-3-yl]phenyl]methyl]imidazol-2-one

Drug info:

PubChemData

Smile

CC#CCC1CC2C3CCC4(C(C3CC=C2CC15OCCO5)CCC46OCCO6)C

DOS

IR

Vibrations