Geometry & MOs

Info

ID:	441750
PubChem CID:	135243313
Reduced:	NO2C9H19 (1)
Stoich.:	AB2C9D19 (1)
Weight, g/mol:	477.251523
ΔH_f, kcal/mol:	-117.37
Dipole, Da:	2.9
IP(EA), eV:	-9.04(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[7-(4,4-dimethylpentoxy)-8-methyl-2-oxochromen-3-yl]-4-hydroxy-3-(3-methylbut-2-enyl)benzamide

Drug info:

PubChemData

Smile

CC(C)NC(C)C(=O)C(C)(C)O

DOS

IR

Vibrations