Geometry & MOs

Info

ID:	350058
PubChem CID:	127276931
Reduced:	O2N5C20H35 (1)
Stoich.:	A2B5C20D35 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-76.36
Dipole, Da:	6.21
IP(EA), eV:	-8.55(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1)NC(=O)CN2CCC(CC2)CN3CCOCC3)C(C)(C)C

DOS

IR

Vibrations