Geometry & MOs

Info

ID:	446000
PubChem CID:	135271251
Reduced:	O2N4H22C23 (1)
Stoich.:	A2B4C22D23 (1)
Weight, g/mol:	182.167065
ΔH_f, kcal/mol:	28.19
Dipole, Da:	4.64
IP(EA), eV:	-8.72(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethylcyclobutyl)-3,3-dimethylbutan-1-one

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)NN=C2)N3CCC4=C(C3=O)C=CC(=C4)C5CN(C5)C(=O)C=C

DOS

IR

Vibrations