Geometry & MOs

Info

ID:	230962
PubChem CID:	87572337
Reduced:	N2F5O7C22H27 (1)
Stoich.:	A2B5C7D22E27 (1)
Weight, g/mol:	182.100116
ΔH_f, kcal/mol:	-518.88
Dipole, Da:	3.0
IP(EA), eV:	-9.31(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CC2=C(N(N=C2O[C@]3([C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C(CF)CF)C(F)(F)F

DOS

IR

Vibrations