Geometry & MOs

Info

ID:	279825
PubChem CID:	103845275
Reduced:	NSO2C17H23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	273.129969
ΔH_f, kcal/mol:	-51.82
Dipole, Da:	3.91
IP(EA), eV:	-8.43(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1CNCCC3=CCCC3)OCCO2

DOS

IR

Vibrations