Geometry & MOs

Info

ID:	357230
PubChem CID:	127293734
Reduced:	SO2N4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	340.08987
ΔH_f, kcal/mol:	-87.08
Dipole, Da:	3.84
IP(EA), eV:	-8.81(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromo-5-propan-2-yl-1H-pyrazol-3-yl)-(4-cyclopropylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)NC2=NC=CS2)CC(=O)N3CCN4CCCC4C3

DOS

IR

Vibrations