Geometry & MOs

Info

ID:	201065
PubChem CID:	79484705
Reduced:	ClN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	48.83
Dipole, Da:	3.01
IP(EA), eV:	-8.75(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C2=CC(=CC=C2)Cl)C

DOS

IR

Vibrations