Geometry & MOs

Info

ID:	200695
PubChem CID:	79429255
Reduced:	O3C16H20 (1)
Stoich.:	A3B16C20 (1)
Weight, g/mol:	269.105193
ΔH_f, kcal/mol:	-125.13
Dipole, Da:	4.08
IP(EA), eV:	-9.22(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(pyridin-3-ylmethyl)-2,4-dihydrochromene-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)C2(CCOC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations