Geometry & MOs

Info

ID:	447562
PubChem CID:	135283873
Reduced:	SO3N5H25C26 (1)
Stoich.:	AB3C5D25E26 (1)
Weight, g/mol:	170.141913
ΔH_f, kcal/mol:	30.7
Dipole, Da:	9.2
IP(EA), eV:	-8.81(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-(4-aminopiperidin-1-yl)-2-methylpropanal

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3C(C)C4=CC=CC=N4)C5=CC=C(C=C5)S(=O)(=O)NC)N=C2

DOS

IR

Vibrations