Geometry & MOs

Info

ID:	255374
PubChem CID:	103131646
Reduced:	FN3C13H16 (1)
Stoich.:	AB3C13D16 (1)
Weight, g/mol:	247.148476
ΔH_f, kcal/mol:	12.27
Dipole, Da:	5.62
IP(EA), eV:	-8.75(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-fluoro-5-(1-methylpyrazol-3-yl)phenyl]methyl]propan-2-amine

Drug info:

PubChemData

Smile

CCNCC1=C(C=CC(=C1)C2=NN(C=C2)C)F

DOS

IR

Vibrations