Geometry & MOs

Info

ID:	148613
PubChem CID:	53788281
Reduced:	BrFNO3C34H49 (1)
Stoich.:	ABCD3E34F49 (1)
Weight, g/mol:	202.146999
ΔH_f, kcal/mol:	-209.02
Dipole, Da:	4.14
IP(EA), eV:	-8.8(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-2-phenyl-1-azabicyclo[2.2.1]heptan-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCC1=CN=C(C=C1)C2=CC(=C(C=C2)OCC(CC)C[C@](C3CCCCC3)(C(=O)O)F)Br

DOS

IR

Vibrations