Geometry & MOs

Info

ID:	308609
PubChem CID:	126497143
Reduced:	N3O5C20H31 (1)
Stoich.:	A3B5C20D31 (1)
Weight, g/mol:	605.192569
ΔH_f, kcal/mol:	-235.3
Dipole, Da:	9.36
IP(EA), eV:	-8.71(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-3-ethylidene-7-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2-prop-2-ynylidenethieno[2,3-c]pyridine

Drug info:

PubChemData

Smile

CCCCCC(=O)NCC(=O)NC(C)C(=O)NC1=CC(=CC(=C1)COC)CO

DOS

IR

Vibrations