Geometry & MOs

Info

ID:	314728
PubChem CID:	126622888
Reduced:	O3N6H26C27 (1)
Stoich.:	A3B6C26D27 (1)
Weight, g/mol:	327.03825
ΔH_f, kcal/mol:	0.14
Dipole, Da:	8.33
IP(EA), eV:	-8.93(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-N-(6-bromo-3-cyclopropylpyridin-2-yl)-4-fluoropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)C2CCCN2C(=O)CN3C4=C(C=C(C=C4)C5=CN=CC=C5)C(=N3)C(=O)C

DOS

IR

Vibrations