Geometry & MOs

Info

ID:	29111
PubChem CID:	831666
Reduced:	O4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	279.077454
ΔH_f, kcal/mol:	-124.8
Dipole, Da:	3.24
IP(EA), eV:	-9.74(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-N-(3-methoxyphenyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

C1C[C@@H]2C[C@H]1C[C@H]2OC(=O)C3=CC4=CC=CC=C4OC3=O

DOS

IR

Vibrations