Geometry & MOs

Info

ID:	343747
PubChem CID:	127266923
Reduced:	O3N4C18H26 (1)
Stoich.:	A3B4C18D26 (1)
Weight, g/mol:	341.131031
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	2.4
IP(EA), eV:	-8.91(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[3-(1H-imidazol-2-yl)pyrrolidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CNC(=O)C1=NC=CC(=C1)OC2CCCN(C2)CCN3CCCC3=O

DOS

IR

Vibrations