Geometry & MOs

Info

ID:	258725
PubChem CID:	103156627
Reduced:	ClN3O4C12H16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	246.157957
ΔH_f, kcal/mol:	-87.85
Dipole, Da:	9.78
IP(EA), eV:	-9.65(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4-amino-3-methoxybutanoyl)amino]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1NC(=O)CC(CN)OC)Cl)[N+](=O)[O-]

DOS

IR

Vibrations