Geometry & MOs

Info

ID:	413394
PubChem CID:	135086343
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	329.00514
ΔH_f, kcal/mol:	-46.71
Dipole, Da:	6.61
IP(EA), eV:	-8.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)Br

DOS

IR

Vibrations