Geometry & MOs

Info

ID:	45789
PubChem CID:	10517661
Reduced:	O2F4H5N5C9 (1)
Stoich.:	A2B4C5D5E9 (1)
Weight, g/mol:	290.03063
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	2.07
IP(EA), eV:	-9.77(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,3R,4R,5S,6S,7S,8S)-5-bromo-4-phenyltetracyclo[4.3.0.02,4.03,7]nonan-8-ol

Drug info:

PubChemData

Smile

CCOC(=O)N=NC1=C(C(=C(C(=C1F)F)N=[N+]=[N-])F)F

DOS

IR

Vibrations