Geometry & MOs

Info

ID:	422505
PubChem CID:	135117947
Reduced:	N3O5H15C17 (1)
Stoich.:	A3B5C15D17 (1)
Weight, g/mol:	291.231063
ΔH_f, kcal/mol:	-114.79
Dipole, Da:	4.13
IP(EA), eV:	-9.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4-methoxy-7-[(1,4,5-trimethylimidazol-2-yl)methyl]-7-azaspiro[4.5]decane

Drug info:

PubChemData

Smile

C1[C@]2([C@@]1(CN(C2)C(=O)C3=CC=CC(=C3)C4=CNN=C4)C(=O)O)C(=O)O

DOS

IR

Vibrations