Geometry & MOs

Info

ID:	28858
PubChem CID:	830082
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	300.068097
ΔH_f, kcal/mol:	-58.95
Dipole, Da:	2.83
IP(EA), eV:	-8.38(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,5-dimethylpyrazol-1-yl)-4-(4-nitrophenyl)-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC=CC(=O)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations