Geometry & MOs

Info

ID:	442965
PubChem CID:	135257155
Reduced:	O2N3F4C9H11 (1)
Stoich.:	A2B3C4D9E11 (1)
Weight, g/mol:	229.146664
ΔH_f, kcal/mol:	-285.6
Dipole, Da:	3.8
IP(EA), eV:	-9.65(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-methyl-1-azaspiro[3.3]heptane-7-carbaldehyde

Drug info:

PubChemData

Smile

CN1CCC2(C(=O)NC(=O)N2)C(C1)(C(F)(F)F)F

DOS

IR

Vibrations