Geometry & MOs

Info

ID:	284862
PubChem CID:	104078673
Reduced:	OSN3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	211.114319
ΔH_f, kcal/mol:	-14.54
Dipole, Da:	2.8
IP(EA), eV:	-9.65(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propan-2-yl-2-(1,3-thiazol-5-yl)pyrrolidin-3-amine

Drug info:

PubChemData

Smile

CCN1C(C(CC1=O)N)C2=NC=CS2

DOS

IR

Vibrations