Geometry & MOs

Info

ID:	354271
PubChem CID:	127286235
Reduced:	O2N5C22H33 (1)
Stoich.:	A2B5C22D33 (1)
Weight, g/mol:	286.088832
ΔH_f, kcal/mol:	-62.41
Dipole, Da:	5.43
IP(EA), eV:	-8.25(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-5-yl)-4-cyanopiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CCC1(CCN(CC1)C(=O)NC2=CN=C(C=C2)N3CCN(CC3)C(=O)C4CC4)C

DOS

IR

Vibrations