Geometry & MOs

Info

ID:	343235
PubChem CID:	127266408
Reduced:	O2N6C17H20 (1)
Stoich.:	A2B6C17D20 (1)
Weight, g/mol:	250.179361
ΔH_f, kcal/mol:	42.03
Dipole, Da:	5.33
IP(EA), eV:	-9.4(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,5S)-4-ethyl-3,5-dimethylpiperazin-1-yl]-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)N1C=NC(=N1)C(=O)NC(CC2=CC=CC=C2)C3=NOC=N3

DOS

IR

Vibrations