Geometry & MOs

Info

ID:	355849
PubChem CID:	127290701
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	305.221561
ΔH_f, kcal/mol:	-11.64
Dipole, Da:	4.8
IP(EA), eV:	-8.74(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopentylmethyl)-4-[(1-methylpyrazol-4-yl)methyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1COCCN1CC2=CSC(=N2)NC(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations