Geometry & MOs

Info

ID:	59828
PubChem CID:	24898823
Reduced:	BrNO4H16C20 (1)
Stoich.:	ABC4D16E20 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-91.19
Dipole, Da:	5.26
IP(EA), eV:	-8.37(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-anilino-2-methoxybenzoate

Drug info:

PubChemData

Smile

C1CCN2C3=C(C1)C=CC(=C3C4(C2=O)COC5=CC6=C(C=C45)OCO6)Br

DOS

IR

Vibrations