Geometry & MOs

Info

ID:	362376
PubChem CID:	127307469
Reduced:	ON3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	384.183127
ΔH_f, kcal/mol:	-13.13
Dipole, Da:	4.71
IP(EA), eV:	-9.39(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CC2=CC=CC=C2C1NC(=O)N3CCC(CC3)C#N

DOS

IR

Vibrations