Geometry & MOs

Info

ID:	225756
PubChem CID:	87225918
Reduced:	N2O4C27H36 (1)
Stoich.:	A2B4C27D36 (1)
Weight, g/mol:	423.186815
ΔH_f, kcal/mol:	-147.56
Dipole, Da:	3.44
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-2-methyl-7-(naphthalen-1-yloxymethyl)-8-(thiophen-2-ylmethylamino)oct-6-enoic acid

Drug info:

PubChemData

Smile

CC(CCC/C=C(/CNCCCN1CCCC1=O)\COC2=CC=CC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations