Geometry & MOs

Info

ID:	395354
PubChem CID:	135025253
Reduced:	NO2C15H15 (1)
Stoich.:	AB2C15D15 (1)
Weight, g/mol:	304.14633
ΔH_f, kcal/mol:	-25.15
Dipole, Da:	2.17
IP(EA), eV:	-9.25(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-2-ethenyl-6-methoxy-2-methyl-4-(2-phenylethynyl)-3,4-dihydrochromene

Drug info:

PubChemData

Smile

C1COC(CO1)C2=CC(=NC=C2)C3=CC=CC=C3

DOS

IR

Vibrations