Geometry & MOs

Info

ID:	65978
PubChem CID:	46484796
Reduced:	OF3N3C20H22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	340.189926
ΔH_f, kcal/mol:	-166.88
Dipole, Da:	7.05
IP(EA), eV:	-8.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-tert-butyl-5-cyclopropylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2CCCN(C2)C3=C(C=CC=N3)C(F)(F)F)C

DOS

IR

Vibrations