Geometry & MOs

Info

ID:	382586
PubChem CID:	134973844
Reduced:	NOC11H13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	448.02839
ΔH_f, kcal/mol:	2.68
Dipole, Da:	3.9
IP(EA), eV:	-9.45(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-iodo-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]

Drug info:

PubChemData

Smile

CC(C)(CC#CC1=CN=CC=C1)O

DOS

IR

Vibrations