Geometry & MOs

Info

ID:	422094
PubChem CID:	135117186
Reduced:	NOC8H13 (2)
Stoich.:	ABC8D13 (2)
Weight, g/mol:	356.167083
ΔH_f, kcal/mol:	-59.57
Dipole, Da:	5.63
IP(EA), eV:	-8.78(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrrolidin-1-yl-[2-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CCC1=NOC(C1)CN2CCC3(CC2)C=C(CCO3)C

DOS

IR

Vibrations