Geometry & MOs

Info

ID:	123499
PubChem CID:	50850527
Reduced:	ON2C18H24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	187.099714
ΔH_f, kcal/mol:	-8.98
Dipole, Da:	3.58
IP(EA), eV:	-8.53(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-oxo-3-(2,4,5-trimethylphenyl)propanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=CC=C2CNC3CCCCC3

DOS

IR

Vibrations