Geometry & MOs

Info

ID:	144772
PubChem CID:	53410938
Reduced:	N3O5C14H21 (1)
Stoich.:	A3B5C14D21 (1)
Weight, g/mol:	197.154155
ΔH_f, kcal/mol:	-214.97
Dipole, Da:	3.46
IP(EA), eV:	-9.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

dodec-3-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CN=CC(=C1CNC(=O)O)OC

DOS

IR

Vibrations