Geometry & MOs

Info

ID:	245328
PubChem CID:	99443323
Reduced:	O2N3C11H13 (2)
Stoich.:	A2B3C11D13 (2)
Weight, g/mol:	462.183795
ΔH_f, kcal/mol:	-57.94
Dipole, Da:	6.88
IP(EA), eV:	-8.55(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[5-methyl-4-(4-propylphenyl)-1,3-thiazol-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=C(C=NN1C2=NN=C(C=C2)OC)C(=O)N(CC)CC(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations