Geometry & MOs

Info

ID:	423952
PubChem CID:	135120837
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	391.225977
ΔH_f, kcal/mol:	55.24
Dipole, Da:	2.2
IP(EA), eV:	-8.65(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(furan-2-ylmethyl)-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CN1C[C@@H]2CN(C[C@H]1COC2)C3=C(C=CC=N3)Cl

DOS

IR

Vibrations