Geometry & MOs

Info

ID:	181466
PubChem CID:	76747739
Reduced:	N2O4C23H34 (1)
Stoich.:	A2B4C23D34 (1)
Weight, g/mol:	362.094582
ΔH_f, kcal/mol:	-196.68
Dipole, Da:	4.54
IP(EA), eV:	-8.76(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)C2(CC2)CCC3COC(N3C(=O)OC(C)(C)C)(C)C

DOS

IR

Vibrations