Geometry & MOs

Info

ID:	378970
PubChem CID:	134228614
Reduced:	O3N4C15H22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	249.136493
ΔH_f, kcal/mol:	-31.4
Dipole, Da:	8.82
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-(2,3-dihydroxypropoxy)benzonitrile

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)OCCOCCOC)N2C=NN=N2

DOS

IR

Vibrations