Geometry & MOs

Info

ID:	346091
PubChem CID:	127270579
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	388.193297
ΔH_f, kcal/mol:	-188.91
Dipole, Da:	1.46
IP(EA), eV:	-9.12(0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-yl)-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCN(CC2)C(=O)C3CCCO3)C

DOS

IR

Vibrations