Geometry & MOs

Info

ID:	421759
PubChem CID:	135116551
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	279.169525
ΔH_f, kcal/mol:	-21.01
Dipole, Da:	6.3
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=CC=CC=C4N=C3

DOS

IR

Vibrations