Geometry & MOs

Info

ID:	30436
PubChem CID:	841335
Reduced:	ON2C16H18 (1)
Stoich.:	AB2C16D18 (1)
Weight, g/mol:	247.11209
ΔH_f, kcal/mol:	-20.56
Dipole, Da:	2.61
IP(EA), eV:	-8.69(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=C(C=CC(=C2)C)C

DOS

IR

Vibrations