Geometry & MOs

Info

ID:	164900
PubChem CID:	74468106
Reduced:	O2N3C13H17 (2)
Stoich.:	A2B3C13D17 (2)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-53.06
Dipole, Da:	10.54
IP(EA), eV:	-9.5(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8,10-trien-12-one

Drug info:

PubChemData

Smile

COC1CC2CC(C(=O)NC2CC1OC)CN(CC3=CC=CO3)CC4=NN=NN4CC5=CC=CC=C5

DOS

IR

Vibrations