Geometry & MOs

Info

ID:

381077

PubChem CID:

134971709

Reduced:

OC5H7 (1)

Stoich.:

AB5C7 (1)

Weight, g/mol:

304.105922

ΔHf, kcal/mol:

-6.62

Dipole, Da:

4.0

IP(EA), eV:

0.0(0.0)

Spin(Sz, S2):

0.500000, 0.911010

Charge, e:

0

Chem-info

IUPAC name:

ethyl 2-(phenylmethoxycarbonylaminomethyl)-1,3-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC(=C)/C=C/[O-]

DOS

IR

Vibrations