Geometry & MOs

Info

ID:	197985
PubChem CID:	79026347
Reduced:	NOC5H7 (2)
Stoich.:	ABC5D7 (2)
Weight, g/mol:	218.126657
ΔH_f, kcal/mol:	-66.06
Dipole, Da:	4.86
IP(EA), eV:	-9.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(2S)-2-aminobutanoyl]amino]-3-hydroxy-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)N2CCCC2

DOS

IR

Vibrations