Geometry & MOs

Info

ID:	421159
PubChem CID:	135115487
Reduced:	FNOC9H12 (2)
Stoich.:	ABCD9E12 (2)
Weight, g/mol:	298.204513
ΔH_f, kcal/mol:	-172.12
Dipole, Da:	2.79
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-N-pentan-3-yl-4-(quinolin-4-ylmethyl)oxolan-3-amine

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC(=C(C=C3)F)F)CO

DOS

IR

Vibrations