Geometry & MOs

Info

ID:	367642
PubChem CID:	127325166
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	322.109962
ΔH_f, kcal/mol:	36.86
Dipole, Da:	3.61
IP(EA), eV:	-9.43(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,4-dioxan-2-ylmethyl)-4-methyl-2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C1CCC(CC1)CN(C2CC2)C(=O)C3=CC(=CC=C3)N4C=NC=N4

DOS

IR

Vibrations