Geometry & MOs

Info

ID:	388149
PubChem CID:	134988328
Reduced:	NO3C10H15 (1)
Stoich.:	AB3C10D15 (1)
Weight, g/mol:	225.172879
ΔH_f, kcal/mol:	-108.51
Dipole, Da:	3.83
IP(EA), eV:	-10.49(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-cyanoethyl)-2,4-dimethylheptanoate

Drug info:

PubChemData

Smile

CCC(C)[C@H](C(=O)OCC=C)N=C=O

DOS

IR

Vibrations