Geometry & MOs

Info

ID:	370452
PubChem CID:	127338946
Reduced:	O2N5C13H15 (1)
Stoich.:	A2B5C13D15 (1)
Weight, g/mol:	289.099731
ΔH_f, kcal/mol:	8.95
Dipole, Da:	1.05
IP(EA), eV:	-8.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-pyrimidin-2-ylpyrazol-4-yl)thiane-4-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1C(=O)NC2=CN(N=C2)C3=NC=CC=N3

DOS

IR

Vibrations