Geometry & MOs

Info

ID:	213836
PubChem CID:	81065177
Reduced:	ClNO4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	293.101171
ΔH_f, kcal/mol:	-184.32
Dipole, Da:	2.97
IP(EA), eV:	-9.02(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations