Geometry & MOs

Info

ID:	215942
PubChem CID:	85085475
Reduced:	NO3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	200.08373
ΔH_f, kcal/mol:	-146.02
Dipole, Da:	2.97
IP(EA), eV:	-9.8(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(1-hydroxyprop-2-ynyl)cyclohepta-1,3,5-trien-1-yl]prop-2-yn-1-ol

Drug info:

PubChemData

Smile

CC1(OC2CC(CCC(=O)C2O1)N)C

DOS

IR

Vibrations