Geometry & MOs

Info

ID:	12649
PubChem CID:	142591
Reduced:	NO4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	207.053158
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	3.71
IP(EA), eV:	-10.04(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitro-3-phenylprop-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=C(C1=CC=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations