Geometry & MOs

Info

ID:	73
PubChem CID:	2064
Reduced:	NO4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	273.100108
ΔH_f, kcal/mol:	-127.49
Dipole, Da:	3.66
IP(EA), eV:	-8.79(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O

DOS

IR

Vibrations