Geometry & MOs

Info

ID:	279799
PubChem CID:	103845213
Reduced:	OCl2N2C13H20 (1)
Stoich.:	AB2C2D13E20 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	-51.88
Dipole, Da:	2.66
IP(EA), eV:	-8.61(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNCC1=C(C=CC(=C1)Cl)Cl)(CN(C)C)O

DOS

IR

Vibrations