Geometry & MOs

Info

ID:	298388
PubChem CID:	117648844
Reduced:	F2O3N7C29H33 (1)
Stoich.:	A2B3C7D29E33 (1)
Weight, g/mol:	163.1361
ΔH_f, kcal/mol:	-145.59
Dipole, Da:	7.65
IP(EA), eV:	-8.28(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2S)-3,3-dimethylbutan-2-yl]pyridine

Drug info:

PubChemData

Smile

CCN1C2=CC=CC(=C2C=N1)NC3=NC(=C(C=C3C(=O)N)F)N[C@H](C4=CC=CC=C4F)[C@H](C)NC(=O)OC(C)(C)C

DOS

IR

Vibrations