Geometry & MOs

Info

ID:	272761
PubChem CID:	103755940
Reduced:	ON5C14H19 (1)
Stoich.:	AB5C14D19 (1)
Weight, g/mol:	314.00885
ΔH_f, kcal/mol:	14.7
Dipole, Da:	2.66
IP(EA), eV:	-8.87(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-bromopyridin-4-yl)-(2,2-dimethylthiomorpholin-4-yl)methanone

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)N2CCC(C2)C(=O)N)CC

DOS

IR

Vibrations