Geometry & MOs

Info

ID:	70989
PubChem CID:	48414149
Reduced:	ClON5C18H20 (1)
Stoich.:	ABC5D18E20 (1)
Weight, g/mol:	347.094916
ΔH_f, kcal/mol:	31.91
Dipole, Da:	6.21
IP(EA), eV:	-9.41(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NCC3=C(NN=C3)C)Cl

DOS

IR

Vibrations