Geometry & MOs

Info

ID:	205633
PubChem CID:	80130166
Reduced:	SN2O2C12H12 (1)
Stoich.:	AB2C2D12E12 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	1.42
IP(EA), eV:	-8.97(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-2,2-dimethyl-N-[(3-methyloxetan-3-yl)methyl]cyclobutan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CN=C(N2)SCC(=O)O

DOS

IR

Vibrations