Geometry & MOs

Info

ID:	420334
PubChem CID:	135112555
Reduced:	NO2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-115.57
Dipole, Da:	5.1
IP(EA), eV:	-8.96(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)CCCC(=O)N2CCC[C@@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations