Geometry & MOs

Info

ID:	82787
PubChem CID:	49856527
Reduced:	N2O7C14H16 (1)
Stoich.:	A2B7C14D16 (1)
Weight, g/mol:	416.110732
ΔH_f, kcal/mol:	-184.03
Dipole, Da:	4.61
IP(EA), eV:	-10.67(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-4-oxochromen-7-yl]oxymethyl 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

C=CCOC(=O)[C@H](CO)NC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]

DOS

IR

Vibrations