Geometry & MOs

Info

ID:	70940
PubChem CID:	48414071
Reduced:	ClON5C17H18 (1)
Stoich.:	ABC5D17E18 (1)
Weight, g/mol:	329.104338
ΔH_f, kcal/mol:	41.99
Dipole, Da:	5.39
IP(EA), eV:	-9.43(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=C(N(N=C2C)CC3=CC=CC=C3)Cl

DOS

IR

Vibrations