Geometry & MOs

Info

ID:	417389
PubChem CID:	135093103
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	-11.6
Dipole, Da:	2.17
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

piperidin-1-yl-[6-[[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]pyridin-3-yl]methanone

Drug info:

PubChemData

Smile

CC(C)(CC=C)CN1C[C@H]([C@@H](C1)O)CC2=NC=CN=C2

DOS

IR

Vibrations