Geometry & MOs

Info

ID:	144680
PubChem CID:	53398027
Reduced:	BFSO2H6C8 (1)
Stoich.:	ABCD2E6F8 (1)
Weight, g/mol:	286.072035
ΔH_f, kcal/mol:	-161.86
Dipole, Da:	2.05
IP(EA), eV:	-9.04(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-nitrophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

Drug info:

PubChemData

Smile

B(C1=CC2=C(S1)C=C(C=C2)F)(O)O

DOS

IR

Vibrations