Geometry & MOs

Info

ID:	279826
PubChem CID:	103845278
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	70.22
Dipole, Da:	3.96
IP(EA), eV:	-9.07(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CC=C(C1)CCNCC2=C(NN=C2)C3=CC=CS3

DOS

IR

Vibrations