Geometry & MOs

Info

ID:	259314
PubChem CID:	103163870
Reduced:	NOC14H15 (1)
Stoich.:	ABC14D15 (1)
Weight, g/mol:	271.157229
ΔH_f, kcal/mol:	13.16
Dipole, Da:	2.42
IP(EA), eV:	-9.85(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxycyclobutyl)-2-(2-methylphenyl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)CC(=O)C(C#N)C2=CC=CC=C2

DOS

IR

Vibrations