Geometry & MOs

Info

ID:	415535
PubChem CID:	135088531
Reduced:	N5O5C19H29 (1)
Stoich.:	A5B5C19D29 (1)
Weight, g/mol:	269.199094
ΔH_f, kcal/mol:	-206.87
Dipole, Da:	3.52
IP(EA), eV:	-8.97(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(oxan-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)CCN3C=NC4=C3C(=O)N(C(=O)N4C)C)O

DOS

IR

Vibrations