Geometry & MOs

Info

ID:	329405
PubChem CID:	126736340
Reduced:	O2N3H8C11 (2)
Stoich.:	A2B3C8D11 (2)
Weight, g/mol:	587.236148
ΔH_f, kcal/mol:	-2.53
Dipole, Da:	9.83
IP(EA), eV:	-9.23(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(Z)-but-1-en-3-ynyl]-3-methylindol-1-yl]-6-carbazol-9-yl-9-phenylcarbazole

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC2=C(N=C3N2NC=C3C#N)C4=CC5=C(COC(=O)N5)C=C4)C(=O)O

DOS

IR

Vibrations