Geometry & MOs

Info

ID:	327674
PubChem CID:	126690701
Reduced:	OF2N6H22C23 (1)
Stoich.:	AB2C6D22E23 (1)
Weight, g/mol:	268.02113
ΔH_f, kcal/mol:	-29.19
Dipole, Da:	4.37
IP(EA), eV:	-9.17(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-but-1-en-2-yl-2-methylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=CC(=NC=C2)NC3=NC(=NC=C3)C4CC4)NC(=O)C5CC(C5)(F)F

DOS

IR

Vibrations