Geometry & MOs

Info

ID:	142500
PubChem CID:	53045184
Reduced:	N4O4H18C21 (1)
Stoich.:	A4B4C18D21 (1)
Weight, g/mol:	416.167083
ΔH_f, kcal/mol:	-12.98
Dipole, Da:	7.44
IP(EA), eV:	-8.7(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3,5-dimethyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-4-yl]-N-(4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CCC2=N/C(=C/3\C=C4C=CC=CC4=NC3=O)/NO2

DOS

IR

Vibrations