Geometry & MOs

Info

ID:	297548
PubChem CID:	117621055
Reduced:	BrFNO2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	380.130298
ΔH_f, kcal/mol:	-86.6
Dipole, Da:	5.63
IP(EA), eV:	-9.04(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-pentan-3-yloxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Br)C(=O)NCC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations