Geometry & MOs

Info

ID:	419568
PubChem CID:	135108425
Reduced:	N5C20H29 (1)
Stoich.:	A5B20C29 (1)
Weight, g/mol:	366.203131
ΔH_f, kcal/mol:	26.4
Dipole, Da:	1.99
IP(EA), eV:	-8.86(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-[[3-(trifluoromethyl)phenyl]methyl]piperazine

Drug info:

PubChemData

Smile

CCCCC1=NC=C(N1)CN2CCCC3(C2)CCC4=CN=C(N=C34)C

DOS

IR

Vibrations