Geometry & MOs

Info

ID:	351740
PubChem CID:	127282140
Reduced:	SO2N4C18H28 (1)
Stoich.:	AB2C4D18E28 (1)
Weight, g/mol:	375.263425
ΔH_f, kcal/mol:	-88.03
Dipole, Da:	3.41
IP(EA), eV:	-8.96(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations