Geometry & MOs

Info

ID:	421230
PubChem CID:	135115624
Reduced:	NSO4C20H23 (1)
Stoich.:	ABC4D20E23 (1)
Weight, g/mol:	397.236542
ΔH_f, kcal/mol:	-121.59
Dipole, Da:	6.09
IP(EA), eV:	-8.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1COC2(CCN(CC2)CC3=CC=C(C=C3)OCC(=O)O)C4=C1C=CS4

DOS

IR

Vibrations