Geometry & MOs

Info

ID:	270099
PubChem CID:	103628124
Reduced:	BrFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	4.59
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-N-[2-(3-methylbutoxy)ethyl]-2-oxopyridine-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNC(=O)C2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations