Geometry & MOs

Info

ID:	416465
PubChem CID:	135089480
Reduced:	N2O3C17H24 (1)
Stoich.:	A2B3C17D24 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-134.66
Dipole, Da:	6.24
IP(EA), eV:	-9.03(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC[C@]1(CCC[C@H]2[C@@H]1CN(C2)C(=O)C3=CN(C(=O)C=C3)C)O

DOS

IR

Vibrations