Geometry & MOs

Info

ID:	351741
PubChem CID:	127282141
Reduced:	O2N5C20H33 (1)
Stoich.:	A2B5C20D33 (1)
Weight, g/mol:	348.227374
ΔH_f, kcal/mol:	-87.81
Dipole, Da:	5.88
IP(EA), eV:	-8.9(0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)CC(=O)N2CCN(CC2)C(C)C(=O)NC3CCCC3

DOS

IR

Vibrations