Geometry & MOs

Info

ID:	369213
PubChem CID:	127331525
Reduced:	O2N4C19H30 (1)
Stoich.:	A2B4C19D30 (1)
Weight, g/mol:	362.177647
ΔH_f, kcal/mol:	-70.28
Dipole, Da:	5.17
IP(EA), eV:	-8.77(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-tert-butyloxan-3-yl)methyl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCCO1)CNC(=O)C2=NN=C(C=C2)N3CCCC3

DOS

IR

Vibrations