Geometry & MOs

Info

ID:	23234
PubChem CID:	602896
Reduced:	NO3C18H31 (1)
Stoich.:	AB3C18D31 (1)
Weight, g/mol:	309.230394
ΔH_f, kcal/mol:	-180.66
Dipole, Da:	4.59
IP(EA), eV:	-9.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-aminododecylidene)-4-hydroxycyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCCCCCCCCCCC(=C1C(=O)CCC(C1=O)O)N

DOS

IR

Vibrations