Geometry & MOs

Info

ID:	232869
PubChem CID:	87577317
Reduced:	NO6C8H19 (1)
Stoich.:	AB6C8D19 (1)
Weight, g/mol:	403.116821
ΔH_f, kcal/mol:	-271.57
Dipole, Da:	2.81
IP(EA), eV:	-9.83(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-[(3-nitrophenyl)methyl]-7-pyrimidin-2-yloxychromen-2-one

Drug info:

PubChemData

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COC.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O

DOS

IR

Vibrations