Geometry & MOs

Info

ID:	221165
PubChem CID:	85257104
Reduced:	N2O5C14H14 (1)
Stoich.:	A2B5C14D14 (1)
Weight, g/mol:	290.105528
ΔH_f, kcal/mol:	-157.58
Dipole, Da:	2.49
IP(EA), eV:	-9.66(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-(10-cyanoanthracen-9-yl)propanoic acid

Drug info:

PubChemData

Smile

C1C(C1C2(C(=O)NC(=O)N2)OCC3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations