Geometry & MOs

Info

ID:	136247
PubChem CID:	52007176
Reduced:	O4N6C19H26 (1)
Stoich.:	A4B6C19D26 (1)
Weight, g/mol:	257.152812
ΔH_f, kcal/mol:	-89.02
Dipole, Da:	6.72
IP(EA), eV:	-9.44(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-5-methyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)C2=CC=C(C=C2)OCC3=NN=NN3C(C)C

DOS

IR

Vibrations