Geometry & MOs

Info

ID:	213869
PubChem CID:	81065500
Reduced:	NSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	213.136493
ΔH_f, kcal/mol:	-130.53
Dipole, Da:	3.8
IP(EA), eV:	-9.22(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-methylcyclopropanecarbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=C(C=CS1)C

DOS

IR

Vibrations