Geometry & MOs

Info

ID:	334354
PubChem CID:	127252906
Reduced:	O3N4H20C25 (1)
Stoich.:	A3B4C20D25 (1)
Weight, g/mol:	540.0896
ΔH_f, kcal/mol:	-42.56
Dipole, Da:	5.65
IP(EA), eV:	-8.17(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-bromoindol-1-yl)ethyl]-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N1CC2=C(C1=O)C(C3=CN(C4=CC=CC(=C43)N2)C)C5=CC6=CC=CC=C6NC5=O

DOS

IR

Vibrations