Geometry & MOs

Info

ID:	255363
PubChem CID:	103131607
Reduced:	FN3C11H12 (1)
Stoich.:	AB3C11D12 (1)
Weight, g/mol:	219.117176
ΔH_f, kcal/mol:	18.17
Dipole, Da:	3.97
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-(1-methylpyrazol-3-yl)phenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2=C(C=C(C=C2)CN)F

DOS

IR

Vibrations