Geometry & MOs

Info

ID:	216536
PubChem CID:	85086383
Reduced:	O2H18C19 (1)
Stoich.:	A2B18C19 (1)
Weight, g/mol:	278.13068
ΔH_f, kcal/mol:	-46.3
Dipole, Da:	4.37
IP(EA), eV:	-8.84(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[6-(3-hydroxypent-1-en-4-ynyl)cyclohepta-1,3,5-trien-1-yl]hepta-4,6-dien-1-yn-3-ol

Drug info:

PubChemData

Smile

CC(=O)CC1C(C2=CC=CC=C2C3=CC=CC=C13)C(=O)C

DOS

IR

Vibrations