Geometry & MOs

Info

ID:	341169
PubChem CID:	127263604
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	315.02588
ΔH_f, kcal/mol:	11.9
Dipole, Da:	1.65
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2-(4-methoxyphenyl)-5-methyl-1H-indole

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)Br)NC(=C2)C3=CC(=CC=C3)OC

DOS

IR

Vibrations