Geometry & MOs

Info

ID:	38230
PubChem CID:	8028336
Reduced:	FO2N4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-54.98
Dipole, Da:	11.89
IP(EA), eV:	-8.54(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-butyl-7-methyl-2-oxochromen-5-yl)oxy-N-(pyridin-4-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=O)N1)C(=O)NN=C2CC3=CN(C4=C3C=C(C=C4)F)C

DOS

IR

Vibrations