Geometry & MOs

Info

ID:	372445
PubChem CID:	131297771
Reduced:	IOF2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	206.085541
ΔH_f, kcal/mol:	-120.33
Dipole, Da:	1.66
IP(EA), eV:	-9.71(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[(2-fluorophenyl)methyl]-1,3-oxazol-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CO)I)C(F)F

DOS

IR

Vibrations