Geometry & MOs

Info

ID:	25067
PubChem CID:	618323
Reduced:	N2O3C29H34 (1)
Stoich.:	A2B3C29D34 (1)
Weight, g/mol:	458.256943
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	6.67
IP(EA), eV:	-9.28(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butoxy-2,3-dicyanophenyl) 4-(4-butylcyclohexyl)benzoate

Drug info:

PubChemData

Smile

CCCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)OC3=C(C(=C(C=C3)OCCCC)C#N)C#N

DOS

IR

Vibrations