Geometry & MOs

Info

ID:	181457
PubChem CID:	76747730
Reduced:	WN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	342.149204
ΔH_f, kcal/mol:	33.99
Dipole, Da:	7.79
IP(EA), eV:	-6.32(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[2-(2-amino-5-methyl-4,5-dihydro-1,3-oxazol-4-yl)ethyl]phenyl]-6-fluoropyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C[CH2-].CC1(N([CH-]CO1)C(=O)OC(C)(C)C)C.[W+2]

DOS

IR

Vibrations