Geometry & MOs

Info

ID:	213170
PubChem CID:	81063114
Reduced:	N2O4C15H24 (1)
Stoich.:	A2B4C15D24 (1)
Weight, g/mol:	255.085521
ΔH_f, kcal/mol:	-163.67
Dipole, Da:	4.12
IP(EA), eV:	-9.09(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCN(CC)CC1=CC=C(O1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations