Geometry & MOs

Info

ID:	297177
PubChem CID:	117611933
Reduced:	N5O5C27H29 (1)
Stoich.:	A5B5C27D29 (1)
Weight, g/mol:	372.129692
ΔH_f, kcal/mol:	-96.05
Dipole, Da:	3.27
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1(CO1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC)NC(=O)C4=CN=CN=C4N

DOS

IR

Vibrations