Geometry & MOs

Info

ID:	230933
PubChem CID:	87572278
Reduced:	N2O2C49H94 (1)
Stoich.:	A2B2C49D94 (1)
Weight, g/mol:	290.195405
ΔH_f, kcal/mol:	-244.41
Dipole, Da:	0.64
IP(EA), eV:	-9.46(1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCC/C=C/CCCCCCC(CCCC(CC)C(CC)(CC)C(CC)(CCCCCC/C=C/CCCCCCCC)C(=O)N)C(=O)N

DOS

IR

Vibrations