Geometry & MOs

Info

ID:	29262
PubChem CID:	832706
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	209.121592
ΔH_f, kcal/mol:	-30.97
Dipole, Da:	7.32
IP(EA), eV:	-8.69(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC=C(C=C2)C#N

DOS

IR

Vibrations