Geometry & MOs

Info

ID:	202559
PubChem CID:	79687094
Reduced:	N2F3H11C12 (1)
Stoich.:	A2B3C11D12 (1)
Weight, g/mol:	232.157563
ΔH_f, kcal/mol:	-99.93
Dipole, Da:	8.97
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(7-oxa-2-azaspiro[3.5]nonan-2-yl)phenyl]methanamine

Drug info:

PubChemData

Smile

CC1CN(C1)C2=CC(=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations