Geometry & MOs

Info

ID:	413393
PubChem CID:	135086342
Reduced:	N2O5H24C26 (1)
Stoich.:	A2B5C24D26 (1)
Weight, g/mol:	309.03644
ΔH_f, kcal/mol:	-132.04
Dipole, Da:	4.8
IP(EA), eV:	-8.65(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-5-methoxy-1H-indol-2-yl)pentan-1-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)/C=C(/C3=C(C4=CC=CC=C4N3)C=O)\C(=O)OC

DOS

IR

Vibrations