Geometry & MOs

Info

ID:	243640
PubChem CID:	99233587
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	425.231456
ΔH_f, kcal/mol:	-179.02
Dipole, Da:	7.33
IP(EA), eV:	-9.28(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=CC=C(C(=O)N2)C(=O)N3CCC[C@@H](C3)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations