Geometry & MOs

Info

ID:	347940
PubChem CID:	127273002
Reduced:	ON2C10H16 (2)
Stoich.:	AB2C10D16 (2)
Weight, g/mol:	398.21001
ΔH_f, kcal/mol:	-92.22
Dipole, Da:	4.45
IP(EA), eV:	-9.14(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-3,5-dimethylpyrazol-4-yl)-[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methanone

Drug info:

PubChemData

Smile

CCN1C(=C(C(=N1)C)C(=O)N2CCCN(CC2)C(=O)CC3CCCC3)C

DOS

IR

Vibrations