Geometry & MOs

Info

ID:	85259
PubChem CID:	49873176
Reduced:	SN2O4C26H30 (1)
Stoich.:	AB2C4D26E30 (1)
Weight, g/mol:	411.217636
ΔH_f, kcal/mol:	-100.53
Dipole, Da:	3.19
IP(EA), eV:	-8.62(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;pentanedioic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C=C1)C#CC2=CC3=C(C=C2)SC(CC3(C)C)OC(=O)[C@H](C(C)C)N

DOS

IR

Vibrations