Geometry & MOs

Info

ID:	392250
PubChem CID:	135013887
Reduced:	NH8C9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	311.115758
ΔH_f, kcal/mol:	80.32
Dipole, Da:	4.94
IP(EA), eV:	-8.69(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(5,5-dimethyl-4,6-dioxophenalen-1-yl)propanoic acid

Drug info:

PubChemData

Smile

CC12CC3=CC=CC=C3C(=CC1=NC4=CC=CC=C24)N

DOS

IR

Vibrations