Geometry & MOs

Info

ID:	427893
PubChem CID:	135164979
Reduced:	ClO4N5H32C33 (1)
Stoich.:	AB4C5D32E33 (1)
Weight, g/mol:	213.209264
ΔH_f, kcal/mol:	-41.33
Dipole, Da:	8.66
IP(EA), eV:	-8.47(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethylpropoxy)-1-(2,2-dimethylpropyl)azetidine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1C2=NC3=CC(=CC(=C3O2)C#N)CO)C4=C(C(=CC=C4)N5C=C6CCN(CC6N5)C(=O)OC(C)(C)C)Cl

DOS

IR

Vibrations