Geometry & MOs

Info

ID:	242152
PubChem CID:	96079327
Reduced:	NOF2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	191.085875
ΔH_f, kcal/mol:	-78.96
Dipole, Da:	2.61
IP(EA), eV:	-9.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-(2-fluorophenyl)-(1H-pyrazol-4-yl)methanamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1F)[C@@H](C2=CC=CC=C2F)N

DOS

IR

Vibrations