Geometry & MOs

Info

ID:	282689
PubChem CID:	103936340
Reduced:	SN3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	259.114319
ΔH_f, kcal/mol:	33.28
Dipole, Da:	3.59
IP(EA), eV:	-8.39(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylpyrrolidin-3-yl)-1,3-benzothiazol-6-amine

Drug info:

PubChemData

Smile

CC1CC(CCN1C)NC2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations