Geometry & MOs

Info

ID:	304133
PubChem CID:	124496640
Reduced:	O2N3C21H33 (1)
Stoich.:	A2B3C21D33 (1)
Weight, g/mol:	463.283492
ΔH_f, kcal/mol:	-105.05
Dipole, Da:	2.89
IP(EA), eV:	-8.85(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[5-[(2S)-1-benzoylpiperidin-2-yl]pyridin-2-yl]-N-cyclohexylcarbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1CCCCC1)C2=NC=C(C=C2)[C@H]3CCCCN3

DOS

IR

Vibrations