Geometry & MOs

Info

ID:	231309
PubChem CID:	87573438
Reduced:	NSi2C18H38 (1)
Stoich.:	AB2C18D38 (1)
Weight, g/mol:	260.104859
ΔH_f, kcal/mol:	-26.33
Dipole, Da:	5.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799208
Charge, e:	0

Chem-info

IUPAC name:

4-cyclohexyl-5,7-dihydroxychromen-2-one

Drug info:

PubChemData

Smile

CC(C)N(C(C)/C(=C(/C)\[Si])/C)[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations