Geometry & MOs

Info

ID:	182118
PubChem CID:	76847757
Reduced:	O2N4H8C11 (1)
Stoich.:	A2B4C8D11 (1)
Weight, g/mol:	174.06808
ΔH_f, kcal/mol:	21.6
Dipole, Da:	5.22
IP(EA), eV:	-8.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

spiro[3H-chromene-2,1'-cyclopropane]-4-one

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC2=NC=CC3=C2N=CN3

DOS

IR

Vibrations