Geometry & MOs

Info

ID:	17994
PubChem CID:	532292
Reduced:	NO2H9C11 (1)
Stoich.:	AB2C9D11 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	-9.23
Dipole, Da:	6.08
IP(EA), eV:	-9.76(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-cyanophenyl) cyclopropanecarboxylate

Drug info:

PubChemData

Smile

C1CC1C(=O)OC2=CC=C(C=C2)C#N

DOS

IR

Vibrations