Geometry & MOs

Info

ID:	170003
PubChem CID:	75179165
Reduced:	N3O6H17C19 (1)
Stoich.:	A3B6C17D19 (1)
Weight, g/mol:	374.220557
ΔH_f, kcal/mol:	-117.9
Dipole, Da:	9.42
IP(EA), eV:	-9.84(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(octylamino)-4-oxo-2-(3-phenylprop-2-enoylamino)butanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=O)NC(CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O

DOS

IR

Vibrations