Geometry & MOs

Info

ID:	213167
PubChem CID:	81063111
Reduced:	O3N4C8H12 (1)
Stoich.:	A3B4C8D12 (1)
Weight, g/mol:	296.173607
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	3.81
IP(EA), eV:	-10.44(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=NC=NN1

DOS

IR

Vibrations