Geometry & MOs

Info

ID:	296418
PubChem CID:	117573410
Reduced:	NC8H14 (2)
Stoich.:	AB8C14 (2)
Weight, g/mol:	263.119129
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	2.36
IP(EA), eV:	-8.22(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(1,1-dioxothiolan-3-yl)amino]methyl]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)NCC(CN)C(C)C

DOS

IR

Vibrations