Geometry & MOs

Info

ID:	201728
PubChem CID:	79571835
Reduced:	O2N3C12H19 (1)
Stoich.:	A2B3C12D19 (1)
Weight, g/mol:	329.11028
ΔH_f, kcal/mol:	-58.6
Dipole, Da:	4.84
IP(EA), eV:	-9.54(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(4-bromopyrazol-1-yl)ethyl]-1-(propylamino)cyclopentyl]methanol

Drug info:

PubChemData

Smile

CNC1(CCCC1CCN2C=CC=N2)C(=O)O

DOS

IR

Vibrations