Geometry & MOs

Info

ID:	325442
PubChem CID:	126683292
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	376.142307
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	2.83
IP(EA), eV:	-10.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,5-bis(aminomethyl)-4-(4-carboxyphenyl)phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)O)CN)C2=C(C=C(C=C2)C(=O)O)CN

DOS

IR

Vibrations