Geometry & MOs

Info

ID:	369917
PubChem CID:	127336763
Reduced:	ON5C23H31 (1)
Stoich.:	AB5C23D31 (1)
Weight, g/mol:	355.154133
ΔH_f, kcal/mol:	6.81
Dipole, Da:	4.39
IP(EA), eV:	-8.49(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCN1C(=O)NC2CCN(CC2)C3=CC=CC=N3)CC4=CC=CC=C4

DOS

IR

Vibrations