Geometry & MOs

Info

ID:	380382
PubChem CID:	134970815
Reduced:	ON2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	425.99642
ΔH_f, kcal/mol:	96.42
Dipole, Da:	6.01
IP(EA), eV:	-8.26(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-formyl-4-iodo-2-methoxy-3-phenylmethoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(NNN2)C(C[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations