Geometry & MOs

Info

ID:	411612
PubChem CID:	135084444
Reduced:	ClN2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	15.24
Dipole, Da:	3.64
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCN1C=CC2=C1N=C(C=C2C)Cl

DOS

IR

Vibrations