Geometry & MOs

Info

ID:	287145
PubChem CID:	104233795
Reduced:	FON3C14H18 (1)
Stoich.:	ABC3D14E18 (1)
Weight, g/mol:	277.15904
ΔH_f, kcal/mol:	-27.74
Dipole, Da:	2.49
IP(EA), eV:	-8.93(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(2-fluoro-6-methoxyphenyl)-1-methylpyrazol-4-yl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCNCC1=CN(N=C1C2=C(C=CC=C2F)OC)C

DOS

IR

Vibrations