Geometry & MOs

Info

ID:	196617
PubChem CID:	78854272
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-82.73
Dipole, Da:	3.91
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)C(=O)C2=CC=CC=C2C3=NC=C(O3)C4=CC=CC=C4F

DOS

IR

Vibrations