Geometry & MOs

Info

ID:	282093
PubChem CID:	103915750
Reduced:	NF2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	264.102941
ΔH_f, kcal/mol:	-209.65
Dipole, Da:	4.31
IP(EA), eV:	-9.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-N-(1,2-oxazol-5-ylmethyl)butan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)F)C(=O)N2C[C@H]([C@H](C2)O)O

DOS

IR

Vibrations