Geometry & MOs

Info

ID:	259315
PubChem CID:	103163873
Reduced:	NO2C17H21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	243.125929
ΔH_f, kcal/mol:	-42.48
Dipole, Da:	3.4
IP(EA), eV:	-9.62(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclobutyl-2-(4-methoxyphenyl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)C(C#N)C2=CC=CC=C2C

DOS

IR

Vibrations