Geometry & MOs

Info

ID:	340266
PubChem CID:	127262277
Reduced:	NO6C23H27 (1)
Stoich.:	AB6C23D27 (1)
Weight, g/mol:	483.262088
ΔH_f, kcal/mol:	-174.14
Dipole, Da:	2.57
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-(4-hexoxyphenyl)methylideneamino] 4-heptoxycarbonyloxybenzoate

Drug info:

PubChemData

Smile

CCCCCCOC1=CC=C(C=C1)/C=N/OC(=O)C2=CC=C(C=C2)OC(=O)OCC

DOS

IR

Vibrations