Geometry & MOs

Info

ID:	255362
PubChem CID:	103131596
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	205.101526
ΔH_f, kcal/mol:	53.04
Dipole, Da:	3.83
IP(EA), eV:	-8.91(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CNCC1=C(C=C(C=C1)Cl)C2=NN(C=C2)C

DOS

IR

Vibrations