Geometry & MOs

Info

ID:	422214
PubChem CID:	135117416
Reduced:	O2N6C21H24 (1)
Stoich.:	A2B6C21D24 (1)
Weight, g/mol:	366.17102
ΔH_f, kcal/mol:	18.04
Dipole, Da:	8.65
IP(EA), eV:	-8.78(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chlorophenyl)-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NN=C3N2C=CC=C3)C4=NC=C(C=C4)C(=O)N5CCOCC5

DOS

IR

Vibrations