Geometry & MOs

Info

ID:	407605
PubChem CID:	135080354
Reduced:	BrNO3H12C13 (1)
Stoich.:	ABC3D12E13 (1)
Weight, g/mol:	208.089958
ΔH_f, kcal/mol:	-91.05
Dipole, Da:	5.9
IP(EA), eV:	-9.15(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-fluoro-1-phenylcyclobutane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](C(=O)O[C@@]12C3=CC=CC=C3N(C2=O)C)Br

DOS

IR

Vibrations