Geometry & MOs

Info

ID:	351703
PubChem CID:	127282103
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	385.222623
ΔH_f, kcal/mol:	-96.06
Dipole, Da:	5.68
IP(EA), eV:	-8.95(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CCCC1=NC(=C(S1)C(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3)C

DOS

IR

Vibrations