Geometry & MOs

Info

ID:	351733
PubChem CID:	127282133
Reduced:	O2N5C20H27 (1)
Stoich.:	A2B5C20D27 (1)
Weight, g/mol:	397.222623
ΔH_f, kcal/mol:	-43.94
Dipole, Da:	4.25
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[6-(1,2,4-triazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC=CC4=C3NN=C4

DOS

IR

Vibrations