Geometry & MOs

Info

ID:	322543
PubChem CID:	126670449
Reduced:	O3N9C32H43 (1)
Stoich.:	A3B9C32D43 (1)
Weight, g/mol:	478.214409
ΔH_f, kcal/mol:	-9.78
Dipole, Da:	6.99
IP(EA), eV:	-7.71(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(oxan-2-yloxy)-2,5-bis(2-phenylethynyl)phenoxy]oxane

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N(C1=O)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)/C=C/CN(C)C)N(C)CCN(C)C)OC

DOS

IR

Vibrations