Geometry & MOs

Info

ID:	27442
PubChem CID:	821350
Reduced:	ON5C17H21 (1)
Stoich.:	AB5C17D21 (1)
Weight, g/mol:	208.073559
ΔH_f, kcal/mol:	38.67
Dipole, Da:	5.24
IP(EA), eV:	-8.88(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dihydroxy-2,2-dimethyl-3H-chromen-4-one

Drug info:

PubChemData

Smile

CC1=NN2C3=CC=CC=C3N(C2=NC1=O)CCN4CCCCC4

DOS

IR

Vibrations