Geometry & MOs

Info

ID:	320772
PubChem CID:	126663314
Reduced:	I2N3C19H25 (1)
Stoich.:	A2B3C19D25 (1)
Weight, g/mol:	277.04661
ΔH_f, kcal/mol:	50.48
Dipole, Da:	5.87
IP(EA), eV:	-8.75(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-2,6,8-trimethyl-2a,3,4,5-tetrahydrobenzo[cd]indole

Drug info:

PubChemData

Smile

CC1=C2CCCN3C2=C(C(=C1I)I)N=C3C4CCCC(CC4)NC

DOS

IR

Vibrations