Geometry & MOs

Info

ID:	356083
PubChem CID:	127291119
Reduced:	BrO2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	337.236542
ΔH_f, kcal/mol:	-58.37
Dipole, Da:	4.35
IP(EA), eV:	-8.8(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-cyclopentylpropanoyl)-N-(oxan-3-yl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CC(COC1)NC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

DOS

IR

Vibrations