Geometry & MOs

Info

ID:	405342
PubChem CID:	135073567
Reduced:	O10C17H24 (1)
Stoich.:	A10B17C24 (1)
Weight, g/mol:	195.125929
ΔH_f, kcal/mol:	-408.05
Dipole, Da:	5.39
IP(EA), eV:	-10.07(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hexyl 3-cyano-2-methylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations