Geometry & MOs

Info

ID:	10510
PubChem CID:	103485
Reduced:	NO2H23C25 (1)
Stoich.:	AB2C23D25 (1)
Weight, g/mol:	369.172879
ΔH_f, kcal/mol:	-1.96
Dipole, Da:	8.45
IP(EA), eV:	-9.34(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) 4-[4-(2-methylbutyl)phenyl]benzoate

Drug info:

PubChemData

Smile

CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C#N

DOS

IR

Vibrations