Geometry & MOs

Info

ID:	290055
PubChem CID:	104404998
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	290.120132
ΔH_f, kcal/mol:	1.4
Dipole, Da:	7.3
IP(EA), eV:	-8.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1,3-benzothiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCCC1)NC2=C(C=C(C=C2)C#N)N

DOS

IR

Vibrations