Geometry & MOs

Info

ID:	14579
PubChem CID:	415254
Reduced:	NO2C11H14 (2)
Stoich.:	AB2C11D14 (2)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-135.65
Dipole, Da:	0.66
IP(EA), eV:	-9.92(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[[carboxy(phenyl)methyl]amino]hexylamino]-2-phenylacetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C(=O)O)NCCCCCCNC(C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations