Geometry & MOs

Info

ID:	400014
PubChem CID:	135044515
Reduced:	NO5C13H19 (1)
Stoich.:	AB5C13D19 (1)
Weight, g/mol:	221.098669
ΔH_f, kcal/mol:	-209.24
Dipole, Da:	5.37
IP(EA), eV:	-10.74(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-propan-2-yl-N-pyridin-3-yl-4,5-dihydro-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C(\C)/COC(=O)OC(C)(C)C)/C#N

DOS

IR

Vibrations