Geometry & MOs

Info

ID:	264476
PubChem CID:	103463714
Reduced:	ClON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	227.152144
ΔH_f, kcal/mol:	28.11
Dipole, Da:	8.78
IP(EA), eV:	-8.59(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,2-dimethylbutylcarbamoyl)cyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NC2=CC(=C(C=C2)Cl)C#N

DOS

IR

Vibrations