Geometry & MOs

Info

ID:	24313
PubChem CID:	609247
Reduced:	NO2C15H23 (1)
Stoich.:	AB2C15D23 (1)
Weight, g/mol:	249.172879
ΔH_f, kcal/mol:	-84.46
Dipole, Da:	5.45
IP(EA), eV:	-9.79(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(heptylamino)-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCCCCCNC(C1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations