Geometry & MOs

Info

ID:	57248
PubChem CID:	22395537
Reduced:	NO4H25C34 (1)
Stoich.:	AB4C25D34 (1)
Weight, g/mol:	331.120843
ΔH_f, kcal/mol:	-52.13
Dipole, Da:	2.71
IP(EA), eV:	-8.59(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(pyren-1-yl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC1=C(C=C2C=CC3=C4C2=C1C=CC4=CC=C3)C(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57)N

DOS

IR

Vibrations