Geometry & MOs

Info

ID:	8030
PubChem CID:	74774
Reduced:	ClNO5H6C9 (1)
Stoich.:	ABC5D6E9 (1)
Weight, g/mol:	242.99345
ΔH_f, kcal/mol:	-105.36
Dipole, Da:	4.18
IP(EA), eV:	-11.57(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-carbonochloridoyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations