Geometry & MOs

Info

ID:	46124
PubChem CID:	10522221
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	356.162374
ΔH_f, kcal/mol:	-62.73
Dipole, Da:	7.17
IP(EA), eV:	-9.52(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,3,5-trimethylphenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])C#C)O

DOS

IR

Vibrations