Geometry & MOs

Info

ID:	325441
PubChem CID:	126683286
Reduced:	F3O3N5H18C23 (1)
Stoich.:	A3B3C5D18E23 (1)
Weight, g/mol:	300.111007
ΔH_f, kcal/mol:	-142.73
Dipole, Da:	1.77
IP(EA), eV:	-8.99(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(aminomethyl)-4-[2-(aminomethyl)-4-carboxyphenyl]benzoic acid

Drug info:

PubChemData

Smile

CN(CC1=CC=NC2=C(C(=NN12)C3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N)C(=O)C(F)(F)F

DOS

IR

Vibrations