Geometry & MOs

Info

ID:	69232
PubChem CID:	46530489
Reduced:	ClO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	381.160103
ΔH_f, kcal/mol:	-8.54
Dipole, Da:	1.68
IP(EA), eV:	-8.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)-3,5-dimethyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=C1C(=O)NC2=CC=C(C=C2)NC(=O)NC)Cl)CC3=CC=CC=C3

DOS

IR

Vibrations