Geometry & MOs

Info

ID:	207916
PubChem CID:	80471069
Reduced:	SN2C15H24 (1)
Stoich.:	AB2C15D24 (1)
Weight, g/mol:	339.09979
ΔH_f, kcal/mol:	18.53
Dipole, Da:	2.5
IP(EA), eV:	-8.85(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(5-bromo-2-fluorophenyl)methyl]-3-bicyclo[3.1.0]hexanyl]methyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNCC1(CC2CC2C1)CC3=CSC(=N3)C

DOS

IR

Vibrations