Geometry & MOs

Info

ID:	380741
PubChem CID:	134971272
Reduced:	OC8H12 (2)
Stoich.:	AB8C12 (2)
Weight, g/mol:	310.080101
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	0.97
IP(EA), eV:	-9.48(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(4,5-dimethoxy-2-nitrophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1CCC([C@H](C1)O)(C2=CC=CC=C2)O

DOS

IR

Vibrations