Geometry & MOs

Info

ID:	327955
PubChem CID:	126691501
Reduced:	N3C12H17 (2)
Stoich.:	A3B12C17 (2)
Weight, g/mol:	231.147058
ΔH_f, kcal/mol:	117.37
Dipole, Da:	2.65
IP(EA), eV:	-8.19(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2S)-butan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C/C(=C\N=C(CCCC1=NC2=C(N1C)C=CCC3=C2CCCC3)N)/N=CC(=NC)C

DOS

IR

Vibrations