Geometry & MOs

Info

ID:	421890
PubChem CID:	135116778
Reduced:	O2N4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	379.214744
ΔH_f, kcal/mol:	-12.66
Dipole, Da:	7.83
IP(EA), eV:	-9.21(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-[3-(2-phenylethoxy)phenyl]methanone

Drug info:

PubChemData

Smile

CC(C)N1C=CC(=N1)C(=O)N2C[C@H]([C@H](C2)O)CC3=CC=NC4=CC=CC=C34

DOS

IR

Vibrations