Geometry & MOs

Info

ID:	282177
PubChem CID:	103918003
Reduced:	BrClN2C12H16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	223.168462
ΔH_f, kcal/mol:	17.64
Dipole, Da:	2.75
IP(EA), eV:	-8.97(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1)CC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations