Geometry & MOs

Info

ID:	418200
PubChem CID:	135103829
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	415.225977
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	3.62
IP(EA), eV:	-8.31(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl-[4-[[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)C(=O)C3=C(C=CC(=C3)O)N

DOS

IR

Vibrations