Geometry & MOs

Info

ID:	143083
PubChem CID:	53143992
Reduced:	FOSN5C16H18 (1)
Stoich.:	ABCD5E16F18 (1)
Weight, g/mol:	298.215747
ΔH_f, kcal/mol:	-31.37
Dipole, Da:	5.19
IP(EA), eV:	-8.79(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-ethylpiperazine

Drug info:

PubChemData

Smile

C1CSCCN1C2=NC=C(C(=N2)N)C(=O)NCC3=CC=CC=C3F

DOS

IR

Vibrations