Geometry & MOs

Info

ID:	134799
PubChem CID:	51757654
Reduced:	O2N5C21H27 (1)
Stoich.:	A2B5C21D27 (1)
Weight, g/mol:	470.278072
ΔH_f, kcal/mol:	66.73
Dipole, Da:	24.56
IP(EA), eV:	-4.93(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(butylamino)-1-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-N-hexyl-4-methoxybenzamide

Drug info:

PubChemData

Smile

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3C(=[NH+]2)NC4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations