Geometry & MOs

Info

ID:	303318
PubChem CID:	124489503
Reduced:	BrFON2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	312.04734
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	3.4
IP(EA), eV:	-9.32(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-methoxy-N-methyl-N-[(3S)-pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CN([C@H]1CCNC1)C(=O)C2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations