Geometry & MOs

Info

ID:	201639
PubChem CID:	79565367
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	295.171834
ΔH_f, kcal/mol:	-96.85
Dipole, Da:	8.35
IP(EA), eV:	-9.43(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylamino)-2-[2-(1-oxo-1,4-thiazinan-4-yl)ethyl]cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1OCCC2CCCC2=O)C)[N+](=O)[O-]

DOS

IR

Vibrations