Geometry & MOs

Info

ID:	371579
PubChem CID:	131269061
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-186.72
Dipole, Da:	4.23
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-4-(hydroxymethyl)-2,3-dihydrochromene-5-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=C(N1)C(=CC=C2)OC(F)(F)F

DOS

IR

Vibrations