Geometry & MOs

Info

ID:	304263
PubChem CID:	124500176
Reduced:	N2O2H20C21 (1)
Stoich.:	A2B2C20D21 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-17.25
Dipole, Da:	4.89
IP(EA), eV:	-9.35(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S)-1-(3,5-dimethyl-1-propylpyrazol-4-yl)ethoxy]ethanamine

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations