Geometry & MOs

Info

ID:	213453
PubChem CID:	81063787
Reduced:	NO3C11H21 (1)
Stoich.:	AB3C11D21 (1)
Weight, g/mol:	295.153206
ΔH_f, kcal/mol:	-172.87
Dipole, Da:	3.08
IP(EA), eV:	-9.83(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methyl-4-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCC(CC)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations