Geometry & MOs

Info

ID:	413406
PubChem CID:	135086355
Reduced:	BN2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	363.174691
ΔH_f, kcal/mol:	-120.06
Dipole, Da:	4.87
IP(EA), eV:	-8.71(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[5-(2-aminophenyl)-3-fluoropyridin-2-yl]phenyl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C(NN=C2C3=CC=CC=C3)C

DOS

IR

Vibrations