Geometry & MOs

Info

ID:	418219
PubChem CID:	135103889
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	384.277678
ΔH_f, kcal/mol:	-124.04
Dipole, Da:	2.1
IP(EA), eV:	-8.76(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-[1-(4-methylanilino)cyclohexyl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC(=CC=C3)OCCO

DOS

IR

Vibrations