Geometry & MOs

Info

ID:	420734
PubChem CID:	135114739
Reduced:	NO5C20H23 (1)
Stoich.:	AB5C20D23 (1)
Weight, g/mol:	416.278741
ΔH_f, kcal/mol:	-148.45
Dipole, Da:	5.44
IP(EA), eV:	-8.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-3-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C(=O)C4=CC=CO4)OC

DOS

IR

Vibrations