Geometry & MOs

Info

ID:	159340
PubChem CID:	57269598
Reduced:	PO3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	313.058637
ΔH_f, kcal/mol:	-199.14
Dipole, Da:	2.25
IP(EA), eV:	-9.75(0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl] carbamate

Drug info:

PubChemData

Smile

CC(C)OP(=O)(C(C)C)OC=C

DOS

IR

Vibrations