Geometry & MOs

Info

ID:	213217
PubChem CID:	81063187
Reduced:	NO3C17H25 (1)
Stoich.:	AB3C17D25 (1)
Weight, g/mol:	297.132471
ΔH_f, kcal/mol:	-148.6
Dipole, Da:	3.46
IP(EA), eV:	-9.63(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations