Geometry & MOs

Info

ID:	188390
PubChem CID:	77708427
Reduced:	PI2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	584.34934
ΔH_f, kcal/mol:	56.21
Dipole, Da:	3.65
IP(EA), eV:	-8.78(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-methylbutanoic acid;2-aminopropanoic acid;pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1CCC(P1C2=CC(=CC3=C2C=CC4=C(C3)C=C(C=C4)I)I)C

DOS

IR

Vibrations