Geometry & MOs

Info

ID:	312268
PubChem CID:	126603970
Reduced:	O5C6H13 (2)
Stoich.:	A5B6C13 (2)
Weight, g/mol:	490.211724
ΔH_f, kcal/mol:	-493.45
Dipole, Da:	0.07
IP(EA), eV:	-10.47(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1Z)-buta-1,3-dienyl]-5-ethenyltriazol-2-yl]-6-[[3-[4-[(1Z)-buta-1,3-dienyl]-5-ethenyltriazol-2-yl]-2-hydroxyphenyl]methyl]phenol

Drug info:

PubChemData

Smile

CC(C(C(C(C(C(C(C(C(C(C)O)O)O)O)O)O)O)O)O)O

DOS

IR

Vibrations