Geometry & MOs

Info

ID:	362851
PubChem CID:	127309680
Reduced:	O2N6C19H28 (1)
Stoich.:	A2B6C19D28 (1)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-23.35
Dipole, Da:	1.08
IP(EA), eV:	-8.9(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCN(CC2)C3=C(C=CC=N3)C#N

DOS

IR

Vibrations