Geometry & MOs

Info

ID:	25068
PubChem CID:	618324
Reduced:	N2O3C30H36 (1)
Stoich.:	A2B3C30D36 (1)
Weight, g/mol:	472.272593
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	6.51
IP(EA), eV:	-9.57(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3-dicyano-4-pentoxyphenyl) 4-(4-butylcyclohexyl)benzoate

Drug info:

PubChemData

Smile

CCCCCOC1=C(C(=C(C=C1)OC(=O)C2=CC=C(C=C2)C3CCC(CC3)CCCC)C#N)C#N

DOS

IR

Vibrations