Geometry & MOs

Info

ID:	418981
PubChem CID:	135107257
Reduced:	O3N5C19H25 (1)
Stoich.:	A3B5C19D25 (1)
Weight, g/mol:	251.224915
ΔH_f, kcal/mol:	-71.07
Dipole, Da:	6.78
IP(EA), eV:	-9.2(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-7-[(E)-4-methylhex-3-enyl]-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC(C1=NN=CN1C)NC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)OC

DOS

IR

Vibrations