Geometry & MOs

Info

ID:	404924
PubChem CID:	135071816
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	256.131074
ΔH_f, kcal/mol:	-17.41
Dipole, Da:	3.51
IP(EA), eV:	-9.8(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-acetyl-6-acetyloxy-4-methylhex-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)CCCC#CC1CCCCC1N=[N+]=[N-]

DOS

IR

Vibrations