Geometry & MOs

Info

ID:	49179
PubChem CID:	11528793
Reduced:	N2O4C11H12 (1)
Stoich.:	A2B4C11D12 (1)
Weight, g/mol:	236.104859
ΔH_f, kcal/mol:	-69.69
Dipole, Da:	9.51
IP(EA), eV:	-9.57(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3,5-dimethoxy-4-prop-1-en-2-ylbenzoate

Drug info:

PubChemData

Smile

C1CC(C1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

DOS

IR

Vibrations