Geometry & MOs

Info

ID:	363384
PubChem CID:	127310921
Reduced:	OSN6C15H22 (1)
Stoich.:	ABC6D15E22 (1)
Weight, g/mol:	359.212139
ΔH_f, kcal/mol:	34.19
Dipole, Da:	7.84
IP(EA), eV:	-8.46(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzamide

Drug info:

PubChemData

Smile

CN1CCN(C(C1)CNC(=O)C2=CN=C(S2)C3=CN(N=C3)C)C

DOS

IR

Vibrations