Geometry & MOs

Info

ID:	255365
PubChem CID:	103131610
Reduced:	ClN3C15H20 (1)
Stoich.:	AB3C15D20 (1)
Weight, g/mol:	205.101526
ΔH_f, kcal/mol:	37.93
Dipole, Da:	3.18
IP(EA), eV:	-8.78(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations