Geometry & MOs

Info

ID:	448449
PubChem CID:	135291032
Reduced:	H2N2O2F8C11 (1)
Stoich.:	A2B2C2D8E11 (1)
Weight, g/mol:	257.21435
ΔH_f, kcal/mol:	-337.05
Dipole, Da:	3.13
IP(EA), eV:	-10.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2S,3S,5R)-2,6,6-trimethyl-N-[(4-methylphenyl)methyl]bicyclo[3.1.1]heptan-3-amine

Drug info:

PubChemData

Smile

C(OC1=C(C(=NC(=C1F)F)F)F)OC2=C(C(=NC(=C2F)F)F)F

DOS

IR

Vibrations