Geometry & MOs

Info

ID:	272364
PubChem CID:	103740468
Reduced:	NO4C19H19 (1)
Stoich.:	AB4C19D19 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	5.24
IP(EA), eV:	-9.74(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylphenyl)-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1CC1C2=CC=C(C=C2)C(C(=O)O)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations