Geometry & MOs

Info

ID:	303316
PubChem CID:	124489501
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	300.02735
ΔH_f, kcal/mol:	-29.81
Dipole, Da:	5.85
IP(EA), eV:	-8.9(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)C(=O)N(C)[C@H]2CCNC2)C

DOS

IR

Vibrations