Geometry & MOs

Info

ID:	435926
PubChem CID:	135192821
Reduced:	SN2F5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	377.171497
ΔH_f, kcal/mol:	-149.83
Dipole, Da:	5.37
IP(EA), eV:	-8.92(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[2-[4-(trifluoromethoxy)phenyl]-2,7-diazaspiro[3.4]octan-7-yl]phenyl]methanamine

Drug info:

PubChemData

Smile

C1C(CC12CN(C2)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)S(F)(F)(F)(F)F

DOS

IR

Vibrations