Geometry & MOs

Info

ID:	279832
PubChem CID:	103845288
Reduced:	BrNO2C16H22 (1)
Stoich.:	ABC2D16E22 (1)
Weight, g/mol:	233.189198
ΔH_f, kcal/mol:	-47.51
Dipole, Da:	5.42
IP(EA), eV:	-8.42(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopenten-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)CNCCC2=CCCC2)Br)OC

DOS

IR

Vibrations