Geometry & MOs

Info

ID:	48439
PubChem CID:	10549376
Reduced:	FN3O5C20H26 (1)
Stoich.:	AB3C5D20E26 (1)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	-261.71
Dipole, Da:	8.04
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-acetyl-6-methylhept-4-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3CCN(C(=O)C3=C2)CC(=O)O)F

DOS

IR

Vibrations