Geometry & MOs

Info

ID:	416417
PubChem CID:	135089430
Reduced:	ClON5C22H28 (1)
Stoich.:	ABC5D22E28 (1)
Weight, g/mol:	416.221226
ΔH_f, kcal/mol:	1.74
Dipole, Da:	1.61
IP(EA), eV:	-8.7(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCN(C)C)C(=O)CCC2=CC=C(N2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations