Geometry & MOs

Info

ID:	201066
PubChem CID:	79484706
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	251.123404
ΔH_f, kcal/mol:	18.21
Dipole, Da:	5.58
IP(EA), eV:	-8.27(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C2=CC=CC=C2OCC)C

DOS

IR

Vibrations