Geometry & MOs

Info

ID:	48135
PubChem CID:	10537365
Reduced:	NF3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	229.110279
ΔH_f, kcal/mol:	-139.09
Dipole, Da:	4.12
IP(EA), eV:	-9.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methyl-3,4-dihydro-2H-pyrano[3,2-b]indol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC[C@H](C(F)(F)F)N=C(C)C1=CC=CC=C1

DOS

IR

Vibrations