Geometry & MOs

Info

ID:	395961
PubChem CID:	135027030
Reduced:	N2O5C22H26 (1)
Stoich.:	A2B5C22D26 (1)
Weight, g/mol:	195.053158
ΔH_f, kcal/mol:	-106.04
Dipole, Da:	4.23
IP(EA), eV:	-8.71(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-5-(furan-2-yl)-4,5-dihydro-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]([C@@H](N1)C2=CC=C(C=C2)OC)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations