Geometry & MOs

Info

ID:	225753
PubChem CID:	87225885
Reduced:	NO5C26H27 (1)
Stoich.:	AB5C26D27 (1)
Weight, g/mol:	528.262422
ΔH_f, kcal/mol:	-147.02
Dipole, Da:	6.37
IP(EA), eV:	-8.88(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-3-(cyclohexylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]-N-(oxan-2-yloxy)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)/C=C(\COC2=CC=CC3=CC=CC=C32)/C(=O)NC(C)COC)C(=O)O

DOS

IR

Vibrations