Geometry & MOs

Info

ID:	295082
PubChem CID:	117516019
Reduced:	N2F3O4H13C15 (1)
Stoich.:	A2B3C4D13E15 (1)
Weight, g/mol:	341.09904
ΔH_f, kcal/mol:	-255.98
Dipole, Da:	12.89
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromo-3,4-dimethoxy-2-propan-2-ylphenyl)methyl]pyrrolidine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)O)C2=CC3=C(C=C2C(F)(F)F)OCCCO3

DOS

IR

Vibrations