Geometry & MOs

Info

ID:	213406
PubChem CID:	81063617
Reduced:	N3O5C12H19 (1)
Stoich.:	A3B5C12D19 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-239.74
Dipole, Da:	4.78
IP(EA), eV:	-10.02(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[[1-(3-methylphenyl)cyclobutanecarbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN1C(=O)C(NC1=O)(C)C

DOS

IR

Vibrations