Geometry & MOs

Info

ID:	55756
PubChem CID:	17396436
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	324.104482
ΔH_f, kcal/mol:	-110.25
Dipole, Da:	4.46
IP(EA), eV:	-9.31(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone

Drug info:

PubChemData

Smile

C1COCCN1C(=O)CCNC(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations