Geometry & MOs

Info

ID:	141327
PubChem CID:	52861477
Reduced:	O2N3C24H33 (1)
Stoich.:	A2B3C24D33 (1)
Weight, g/mol:	455.205636
ΔH_f, kcal/mol:	-99.15
Dipole, Da:	4.95
IP(EA), eV:	-8.13(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(3R)-1-[2-(4-methoxyphenoxy)-5-nitrobenzoyl]piperidin-3-yl]methyl]butanamide

Drug info:

PubChemData

Smile

CCCC(=O)NC[C@@H]1CCCN(C1)C(=O)C2=CC=CC3=C2NC4=C3C[C@@H](CC4)C

DOS

IR

Vibrations