Geometry & MOs

Info

ID:	161071
PubChem CID:	57390674
Reduced:	ON4C24H32 (1)
Stoich.:	AB4C24D32 (1)
Weight, g/mol:	397.170274
ΔH_f, kcal/mol:	-9.73
Dipole, Da:	2.25
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5R)-5-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-4,5-dihydro-1H-pyrazol-3-yl]aniline

Drug info:

PubChemData

Smile

CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C=O)C)C

DOS

IR

Vibrations