Geometry & MOs

Info

ID:	157712
PubChem CID:	56436647
Reduced:	N4C27H28 (1)
Stoich.:	A4B27C28 (1)
Weight, g/mol:	426.221975
ΔH_f, kcal/mol:	116.91
Dipole, Da:	3.72
IP(EA), eV:	-7.99(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(4-pyrrolidin-1-ylphenyl)methanamine

Drug info:

PubChemData

Smile

C1CCN(C1)C2=CC=C(C=C2)CNCC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations