Geometry & MOs

Info

ID:	244492
PubChem CID:	99355735
Reduced:	O3N4C26H26 (1)
Stoich.:	A3B4C26D26 (1)
Weight, g/mol:	448.168145
ΔH_f, kcal/mol:	4.75
Dipole, Da:	8.63
IP(EA), eV:	-8.93(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[2-(2-phenylethyl)pyrazol-3-yl]-2-(2,5,6-trimethyl-3-oxopyridazin-4-yl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)C(=O)NC2=CC=NN2CCC3=CC=CC=C3)OCC4=CN=CC=C4

DOS

IR

Vibrations