Geometry & MOs

Info

ID:	351695
PubChem CID:	127280782
Reduced:	O2N5C18H29 (1)
Stoich.:	A2B5C18D29 (1)
Weight, g/mol:	389.279075
ΔH_f, kcal/mol:	-23.37
Dipole, Da:	4.81
IP(EA), eV:	-8.96(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1-tert-butyl-5-methylpyrazole-4-carbonyl)piperazin-1-yl]-N-cyclopentylpropanamide

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CN2CCN(CC2)CC3=NC(=NO3)C4CC4

DOS

IR

Vibrations