Geometry & MOs

Info

ID:	273605
PubChem CID:	103771454
Reduced:	ClN2O2C11H17 (1)
Stoich.:	AB2C2D11E17 (1)
Weight, g/mol:	293.137556
ΔH_f, kcal/mol:	-99.06
Dipole, Da:	1.18
IP(EA), eV:	-9.37(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxy-4-methylpentyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(CNC(=O)C1=CC(=CN1)Cl)O

DOS

IR

Vibrations