Geometry & MOs

Info

ID:	312197
PubChem CID:	126603568
Reduced:	BrOC12H13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	455.188529
ΔH_f, kcal/mol:	21.38
Dipole, Da:	3.34
IP(EA), eV:	-8.78(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(2,3-dihydrocarbazol-9-yl)ethyl]-2H-chromen-8-yl]-3-phenylprop-2-yn-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OC(C)(C)C#C

DOS

IR

Vibrations