Geometry & MOs

Info

ID:	264492
PubChem CID:	103464331
Reduced:	BrFNOC15H15 (1)
Stoich.:	ABCDE15F15 (1)
Weight, g/mol:	277.215413
ΔH_f, kcal/mol:	-40.58
Dipole, Da:	5.54
IP(EA), eV:	-8.54(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-tert-butyl-N-(2,2-dimethylbutyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

COCC(C1=CC=CC=C1)NC2=CC(=C(C=C2)Br)F

DOS

IR

Vibrations