Geometry & MOs

Info

ID:	388579
PubChem CID:	134989541
Reduced:	N3O3C12H23 (1)
Stoich.:	A3B3C12D23 (1)
Weight, g/mol:	197.141579
ΔH_f, kcal/mol:	-100.24
Dipole, Da:	4.41
IP(EA), eV:	-10.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-cyano-2,4,4-trimethylhexanoate

Drug info:

PubChemData

Smile

CCCCCCCCC(C(C(=O)OC)O)N=[N+]=[N-]

DOS

IR

Vibrations