Geometry & MOs

Info

ID:	278044
PubChem CID:	103832955
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	277.088498
ΔH_f, kcal/mol:	-115.83
Dipole, Da:	3.2
IP(EA), eV:	-9.14(1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-6-yl)-4-methoxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)N1CCCC(C1)OC)N

DOS

IR

Vibrations