Geometry & MOs

Info

ID:	149967
PubChem CID:	53789650
Reduced:	O6C13H22 (1)
Stoich.:	A6B13C22 (1)
Weight, g/mol:	348.183778
ΔH_f, kcal/mol:	-310.16
Dipole, Da:	6.52
IP(EA), eV:	-11.05(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-bis[(2-methylpropan-2-yl)oxy]phenyl]benzene-1,4-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(C(=O)O)C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations