Geometry & MOs

Info

ID:	10458
PubChem CID:	102343
Reduced:	NO3C20H21 (1)
Stoich.:	AB3C20D21 (1)
Weight, g/mol:	323.152144
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	3.95
IP(EA), eV:	-8.8(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[4-[(4-ethoxyphenyl)methylideneamino]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)C=CC(=O)OCC

DOS

IR

Vibrations