Geometry & MOs

Info

ID:	305411
PubChem CID:	124807162
Reduced:	FN3C20H24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	444.183127
ΔH_f, kcal/mol:	16.79
Dipole, Da:	2.08
IP(EA), eV:	-8.16(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,11R)-10-[2-(dimethylamino)ethyl]-9,9-dioxo-2-oxa-9lambda6-thia-10,14-diazatricyclo[9.5.0.03,8]hexadeca-3,5,7-trien-14-yl]-pyridin-3-ylmethanone

Drug info:

PubChemData

Smile

CN(C)CCNCC1=CN(C2=CC=CC=C21)CC3=CC=CC=C3F

DOS

IR

Vibrations