Geometry & MOs

Info

ID:	159185
PubChem CID:	57264342
Reduced:	ON3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	311.246044
ΔH_f, kcal/mol:	33.83
Dipole, Da:	2.42
IP(EA), eV:	-8.84(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-oxoazepan-1-yl)dodecanoic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1C#N)C=C(C=C2)OCCC3=NC=CN3

DOS

IR

Vibrations