Geometry & MOs

Info

ID:	287142
PubChem CID:	104233787
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	263.14339
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	4.66
IP(EA), eV:	-8.69(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCCNCC1=C(NN=C1)C2=C(C=CC=C2F)OC

DOS

IR

Vibrations