Geometry & MOs

Info

ID:	228364
PubChem CID:	87564087
Reduced:	O3N6C40H40 (1)
Stoich.:	A3B6C40D40 (1)
Weight, g/mol:	229.071524
ΔH_f, kcal/mol:	18.31
Dipole, Da:	9.65
IP(EA), eV:	-9.45(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-methylpentanoic acid;phosphoric acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CC(=CC(=C2)N3C(=NN=C3C(C)C)C)C(=O)OC(=O)C4=CC(=CC(=C4)C5=CC=C(C=C5)C)N6C(=NN=C6C(C)C)C

DOS

IR

Vibrations