Geometry & MOs

Info

ID:	259312
PubChem CID:	103163862
Reduced:	NOC7H9 (2)
Stoich.:	ABC7D9 (2)
Weight, g/mol:	181.110279
ΔH_f, kcal/mol:	-33.75
Dipole, Da:	4.7
IP(EA), eV:	-8.76(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-ethoxycyclobutyl)-3-oxobutanenitrile

Drug info:

PubChemData

Smile

C/C(=N/O)/C1=CC=C(C=C1)NC(=O)CC2CCC2

DOS

IR

Vibrations