Geometry & MOs

Info

ID:	243629
PubChem CID:	99233493
Reduced:	N2O4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	411.192484
ΔH_f, kcal/mol:	-209.52
Dipole, Da:	5.75
IP(EA), eV:	-9.24(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1)C(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C)O

DOS

IR

Vibrations