Geometry & MOs

Info

ID:	391167
PubChem CID:	135003310
Reduced:	ClPN4O4C8H14 (1)
Stoich.:	ABC4D4E8F14 (1)
Weight, g/mol:	371.173273
ΔH_f, kcal/mol:	-123.67
Dipole, Da:	6.62
IP(EA), eV:	-9.18(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-(cyclohexylamino)-5-(4-methylphenyl)furan-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOP(=O)(/C(=C/NC1=NON=C1N)/Cl)OCC

DOS

IR

Vibrations