Geometry & MOs

Info

ID:	418987
PubChem CID:	135107263
Reduced:	ClON3C11H16 (1)
Stoich.:	ABC3D11E16 (1)
Weight, g/mol:	344.167083
ΔH_f, kcal/mol:	-24.35
Dipole, Da:	4.49
IP(EA), eV:	-8.68(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]pyridin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N(C)CC2CCCO2)Cl

DOS

IR

Vibrations