Geometry & MOs

Info

ID:	245277
PubChem CID:	99443244
Reduced:	ON3C24H29 (1)
Stoich.:	AB3C24D29 (1)
Weight, g/mol:	462.183795
ΔH_f, kcal/mol:	-10.68
Dipole, Da:	3.22
IP(EA), eV:	-8.3(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=C2CC(=O)N3CCN(CC3)CC4=CC=CC=C4C)C

DOS

IR

Vibrations