Geometry & MOs

Info

ID:	225788
PubChem CID:	87226090
Reduced:	NO2C15H20 (2)
Stoich.:	AB2C15D20 (2)
Weight, g/mol:	423.240959
ΔH_f, kcal/mol:	-160.22
Dipole, Da:	3.69
IP(EA), eV:	-8.37(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-8-(cyclohexylamino)-2-methyl-7-(naphthalen-1-yloxymethyl)-8-oxooct-6-enoic acid

Drug info:

PubChemData

Smile

CC(CCC/C=C(\COC1=CC=CC2=CC=CC=C21)/C(=O)NC3CCN(CC3)C4CCCC4)C(=O)O

DOS

IR

Vibrations