Geometry & MOs

Info

ID:	69227
PubChem CID:	46530480
Reduced:	ClO2N5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	367.144453
ΔH_f, kcal/mol:	-8.07
Dipole, Da:	7.41
IP(EA), eV:	-8.28(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(carbamoylamino)phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations