Geometry & MOs

Info

ID:	405174
PubChem CID:	135072909
Reduced:	NO2C13H15 (1)
Stoich.:	AB2C13D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-15.79
Dipole, Da:	3.71
IP(EA), eV:	-9.29(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-methylphenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=N/OC(=O)C)/CC=C

DOS

IR

Vibrations