Geometry & MOs

Info

ID:	437674
PubChem CID:	135226839
Reduced:	BrOSN2C15H21 (1)
Stoich.:	ABCD2E15F21 (1)
Weight, g/mol:	245.177964
ΔH_f, kcal/mol:	-1.3
Dipole, Da:	7.0
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-methoxyphenyl)methyl]spiro[2.5]octan-6-amine

Drug info:

PubChemData

Smile

CS(=N)(=O)C1=CC(=C(C=C1)NC2CCC3(CC2)CC3)Br

DOS

IR

Vibrations