Geometry & MOs

Info

ID:	237630
PubChem CID:	92720064
Reduced:	N3O6C19H25 (1)
Stoich.:	A3B6C19D25 (1)
Weight, g/mol:	391.174336
ΔH_f, kcal/mol:	-179.25
Dipole, Da:	3.84
IP(EA), eV:	-8.94(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(5R)-3-(2,3-dimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)C(=O)[C@@H]2CC(=NO2)C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations