Geometry & MOs

Info

ID:	201063
PubChem CID:	79484529
Reduced:	ON4C15H22 (1)
Stoich.:	AB4C15D22 (1)
Weight, g/mol:	225.046903
ΔH_f, kcal/mol:	24.59
Dipole, Da:	1.1
IP(EA), eV:	-8.38(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]methanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations