Geometry & MOs

Info

ID:	309827
PubChem CID:	126561085
Reduced:	ON7C30H31 (1)
Stoich.:	AB7C30D31 (1)
Weight, g/mol:	616.287849
ΔH_f, kcal/mol:	107.41
Dipole, Da:	10.09
IP(EA), eV:	-7.66(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-10-[4-[(1R)-1-naphthalen-2-yl-2-phenylethyl]phenyl]-2-phenylpyrrolo[3,2-a]carbazole

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=C(C=CC(=C5)C6=CC(=CN=C6)NC(=O)C7CCCC7)NN4)/C=C23

DOS

IR

Vibrations