Geometry & MOs

Info

ID:	225745
PubChem CID:	87225791
Reduced:	N2O3C25H34 (1)
Stoich.:	A2B3C25D34 (1)
Weight, g/mol:	441.157623
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	4.95
IP(EA), eV:	-8.41(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(furan-2-ylmethylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]-2-methylbenzoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)CCNC/C(=C\CCCCC(=O)O)/COC2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations