Geometry & MOs

Info

ID:	321389
PubChem CID:	126665943
Reduced:	O3F4N6C33H34 (1)
Stoich.:	A3B4C6D33E34 (1)
Weight, g/mol:	201.063722
ΔH_f, kcal/mol:	-208.92
Dipole, Da:	4.76
IP(EA), eV:	-9.57(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(hydroxymethyl)-3-(methoxymethyl)-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)N(C3=CC=CC=C3F)[C@@H](C4=CC=NC=C4)NCC5CC5

DOS

IR

Vibrations