Geometry & MOs

Info

ID:	66000
PubChem CID:	46488063
Reduced:	O2N4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	427.05315
ΔH_f, kcal/mol:	-14.32
Dipole, Da:	2.28
IP(EA), eV:	-8.71(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-bromophenyl)-5-ethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C2CC2)C(=O)NC3=CN=C(C=C3)OC

DOS

IR

Vibrations