Geometry & MOs

Info

ID:	388067
PubChem CID:	134988036
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	211.157229
ΔH_f, kcal/mol:	-145.24
Dipole, Da:	4.96
IP(EA), eV:	-9.44(0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-cyanoethyl)-4-methylheptanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]([C@H](C=C(C)C)O)N

DOS

IR

Vibrations