Geometry & MOs

Info

ID:	380713
PubChem CID:	134971241
Reduced:	NO5C18H33 (1)
Stoich.:	AB5C18D33 (1)
Weight, g/mol:	312.23006
ΔH_f, kcal/mol:	-251.94
Dipole, Da:	4.53
IP(EA), eV:	-9.9(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-7-(2-hexyl-1,3-dioxolan-2-yl)hept-4-enoate

Drug info:

PubChemData

Smile

CCCCCCC(=O)CC/C=C/CC[C@H]([C@@](CO)(C(=O)OC)N)O

DOS

IR

Vibrations