Geometry & MOs

Info

ID:	6622
PubChem CID:	69260
Reduced:	NO4H7C8 (1)
Stoich.:	AB4C7D8 (1)
Weight, g/mol:	181.037508
ΔH_f, kcal/mol:	-64.48
Dipole, Da:	3.06
IP(EA), eV:	-11.0(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations