Geometry & MOs

Info

ID:	146842
PubChem CID:	53757681
Reduced:	N3O3C18H19 (1)
Stoich.:	A3B3C18D19 (1)
Weight, g/mol:	290.188195
ΔH_f, kcal/mol:	-25.85
Dipole, Da:	6.35
IP(EA), eV:	-9.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-methyl-4-(2-methylphenoxy)oct-4-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=CC1=C(N=C2N1C=CC=C2C)OCCC=C)C#N

DOS

IR

Vibrations