Geometry & MOs

Info

ID:	248020
PubChem CID:	103078246
Reduced:	BrON4C11H13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	224.163711
ΔH_f, kcal/mol:	35.86
Dipole, Da:	3.53
IP(EA), eV:	-8.13(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-amino-1-methylpyrazol-3-yl)-cyclopentylamino]ethanol

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)NC2=C(C=CC(=C2)Br)OC)N

DOS

IR

Vibrations