Geometry & MOs

Info

ID:	47908
PubChem CID:	10535798
Reduced:	N2O3C9H10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-58.13
Dipole, Da:	2.86
IP(EA), eV:	-9.62(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-dimethyl-3,4-dihydrochromene-3,6-diol

Drug info:

PubChemData

Smile

COC1=NN=C(C=C1)/C=C/C(=O)OC

DOS

IR

Vibrations