Geometry & MOs

Info

ID:	431654
PubChem CID:	135171750
Reduced:	NC17H19 (1)
Stoich.:	AB17C19 (1)
Weight, g/mol:	372.277678
ΔH_f, kcal/mol:	86.3
Dipole, Da:	1.66
IP(EA), eV:	-8.61(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-amino-4-[2-methylpropyl(spiro[3.3]heptan-2-yl)amino]phenyl]butanoate

Drug info:

PubChemData

Smile

C/C(=C\C=C(/C)\C#CC1=CC=C(C=C1)C=C)/CN

DOS

IR

Vibrations