Geometry & MOs

Info

ID:	225752
PubChem CID:	87225881
Reduced:	NO4C23H31 (1)
Stoich.:	AB4C23D31 (1)
Weight, g/mol:	433.188923
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	3.61
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC/C=C(\CNCCOC)/COC1=CC=CC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations