Geometry & MOs

Info

ID:	159623
PubChem CID:	57288547
Reduced:	ON8H20C22 (1)
Stoich.:	AB8C20D22 (1)
Weight, g/mol:	296.17763
ΔH_f, kcal/mol:	162.97
Dipole, Da:	3.83
IP(EA), eV:	-8.61(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5,7-trimethyl-2-[(4-methylphenoxy)methyl]-3,4-dihydrochromene

Drug info:

PubChemData

Smile

CCC1=NC2=CC=NN2C(=C1)NCC3=CC=C(C=C3)OC4=CC=CC=C4C5=NNN=N5

DOS

IR

Vibrations