Geometry & MOs

Info

ID:	285036
PubChem CID:	104092308
Reduced:	NO2C11H13 (1)
Stoich.:	AB2C11D13 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	-16.69
Dipole, Da:	2.97
IP(EA), eV:	-9.31(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dihydro-2H-chromen-6-yl)pent-4-yn-1-ol

Drug info:

PubChemData

Smile

COC1=NC=CC(=C1)C#CCCCO

DOS

IR

Vibrations