Geometry & MOs

Info

ID:	276136
PubChem CID:	103820851
Reduced:	N2O2C19H30 (1)
Stoich.:	A2B2C19D30 (1)
Weight, g/mol:	333.151098
ΔH_f, kcal/mol:	-117.06
Dipole, Da:	2.07
IP(EA), eV:	-8.23(0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-methyl-1,3-benzothiazol-6-yl)amino]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)NC2CCN(C2)C(=O)OC(C)(C)C

DOS

IR

Vibrations