Geometry & MOs

Info

ID:	311663
PubChem CID:	126596847
Reduced:	ON3H33C43 (1)
Stoich.:	AB3C33D43 (1)
Weight, g/mol:	471.231063
ΔH_f, kcal/mol:	141.11
Dipole, Da:	4.65
IP(EA), eV:	-7.82(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[5-amino-6-(3-methyl-3,4-dihydrocarbazol-9-yl)cyclohexa-1,5-dien-1-yl]-N-methyldibenzofuran-2-amine

Drug info:

PubChemData

Smile

CC1CC2=C(C3=CC=CC=C3N2C4=CC=CCC4)C5=C1C6=C(O5)C(=CC=C6)C7=C(C=C(C=C7)N)N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations