Geometry & MOs

Info

ID:	48518
PubChem CID:	10852286
Reduced:	BNaO6C13H16 (1)
Stoich.:	ABC6D13E16 (1)
Weight, g/mol:	308.100836
ΔH_f, kcal/mol:	-359.3
Dipole, Da:	6.16
IP(EA), eV:	-8.18(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-(4-nitrophenoxy)acetyl]amino] (E)-4-methylpent-2-enoate

Drug info:

PubChemData

Smile

[B-]12(O[13CH2][13C@@H]3[13C@H]([13C@H](O1)[13C@](O2)(O3)[13CH2]O)O)C4=CC=C(C=C4)C.[Na+]

DOS

IR

Vibrations