Geometry & MOs

Info

ID:	405281
PubChem CID:	135073333
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-47.65
Dipole, Da:	2.97
IP(EA), eV:	-8.88(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-phenylbut-3-enylideneamino] propanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations