Geometry & MOs

Info

ID:	405280
PubChem CID:	135073332
Reduced:	NO3H25C26 (1)
Stoich.:	AB3C25D26 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	-49.19
Dipole, Da:	2.72
IP(EA), eV:	-9.05(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(4-methoxyphenyl)but-3-enylideneamino] acetate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N(C=C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)OC

DOS

IR

Vibrations