Geometry & MOs

Info

ID:	69231
PubChem CID:	46530485
Reduced:	O2F3N3H12C15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	397.130553
ΔH_f, kcal/mol:	-193.74
Dipole, Da:	8.11
IP(EA), eV:	-8.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-3-methyl-N-[4-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)N)C(F)(F)F

DOS

IR

Vibrations