Geometry & MOs

Info

ID:	279783
PubChem CID:	103845180
Reduced:	ON3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	221.152812
ΔH_f, kcal/mol:	-22.96
Dipole, Da:	2.73
IP(EA), eV:	-9.22(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,4S)-4-[(2-ethylpyrazol-3-yl)methylamino]cyclopent-2-en-1-yl]methanol

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)CN[C@@H](C)CO

DOS

IR

Vibrations