Geometry & MOs

Info

ID:	216307
PubChem CID:	85086022
Reduced:	ON4H12C14 (1)
Stoich.:	AB4C12D14 (1)
Weight, g/mol:	252.11503
ΔH_f, kcal/mol:	70.96
Dipole, Da:	8.18
IP(EA), eV:	-8.6(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-hydroxypent-1-en-4-ynyl)cyclohepta-1,3,5-trien-1-yl]pent-1-en-4-yn-3-ol

Drug info:

PubChemData

Smile

C1CC2=C3C=CC(=CC3=NC2=C4C1C=NN4)C(=O)N

DOS

IR

Vibrations