Geometry & MOs

Info

ID:	372518
PubChem CID:	131299095
Reduced:	NO2C11H15 (1)
Stoich.:	AB2C11D15 (1)
Weight, g/mol:	295.98105
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	3.35
IP(EA), eV:	-8.78(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyanomethyl)-4-ethyl-5-iodobenzonitrile

Drug info:

PubChemData

Smile

CC1=C2CCC(C2=C(C=C1)O)(CO)N

DOS

IR

Vibrations