Geometry & MOs

Info

ID:	449691
PubChem CID:	135300675
Reduced:	NO7H15C17 (1)
Stoich.:	AB7C15D17 (1)
Weight, g/mol:	328.142307
ΔH_f, kcal/mol:	-167.34
Dipole, Da:	7.74
IP(EA), eV:	-9.71(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-aminophenyl)methoxycarbonylamino]-4-phenylbutanoic acid

Drug info:

PubChemData

Smile

CCC(=O)OC1=CC=C(C=C1)COC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations