Geometry & MOs

Info

ID:	411608
PubChem CID:	135084440
Reduced:	N2O2H12C13 (1)
Stoich.:	A2B2C12D13 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	25.9
Dipole, Da:	6.64
IP(EA), eV:	-10.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(2-methylphenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CC(=O)O/N=C(\CC=C)/C1=CC=C(C=C1)C#N

DOS

IR

Vibrations