Geometry & MOs

Info

ID:	425956
PubChem CID:	135133545
Reduced:	ON2C9H17 (3)
Stoich.:	AB2C9D17 (3)
Weight, g/mol:	694.262028
ΔH_f, kcal/mol:	-142.77
Dipole, Da:	6.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.779405
Charge, e:	0

Chem-info

IUPAC name:

2-[(E,4E)-4-(3-methylidene-1-phenylindol-2-ylidene)but-2-en-2-yl]-6-(9-phenylcarbazol-3-yl)xanthen-9-one

Drug info:

PubChemData

Smile

CCCCN(C)C(=O)C[N+]1=CN(C=C1)CCCN(CC(=O)N(C)C)CC(=O)N(CCCC)CCCC

DOS

IR

Vibrations