Geometry & MOs

Info

ID:	71088
PubChem CID:	48414273
Reduced:	ON5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	345.140117
ΔH_f, kcal/mol:	40.63
Dipole, Da:	5.39
IP(EA), eV:	-9.07(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorophenyl)-3,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations