Geometry & MOs

Info

ID:	196798
PubChem CID:	78880052
Reduced:	ON6C24H32 (1)
Stoich.:	AB6C24D32 (1)
Weight, g/mol:	426.193487
ΔH_f, kcal/mol:	27.81
Dipole, Da:	7.76
IP(EA), eV:	-8.71(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(C=C2)CNC(=O)C3=CC(=NN3)C4=C(N(N=C4C)C)C

DOS

IR

Vibrations