Geometry & MOs

Info

ID:	314724
PubChem CID:	126622864
Reduced:	O3N5H27C31 (1)
Stoich.:	A3B5C27D31 (1)
Weight, g/mol:	304.99753
ΔH_f, kcal/mol:	25.38
Dipole, Da:	11.92
IP(EA), eV:	-8.44(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(5-bromo-2-fluoropyridin-4-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCN2C(=O)CN3C4=C(C=C(C=C4)C5=CC6=CC=CC=C6C=C5)C(=N3)C(=O)C

DOS

IR

Vibrations