Geometry & MOs

Info

ID:	157521
PubChem CID:	56435500
Reduced:	ClON4C19H27 (1)
Stoich.:	ABC4D19E27 (1)
Weight, g/mol:	365.221561
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	4.31
IP(EA), eV:	-8.63(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-1-phenylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CNC2=CC=CC=C2Cl)C(C)(C)C

DOS

IR

Vibrations