Geometry & MOs

Info

ID:	132479
PubChem CID:	51368309
Reduced:	N2O6H18C23 (1)
Stoich.:	A2B6C18D23 (1)
Weight, g/mol:	264.055322
ΔH_f, kcal/mol:	-128.73
Dipole, Da:	6.65
IP(EA), eV:	-9.02(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(3-chloro-4-methylphenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)NC2=C(C=C3C=CC(=O)C=C3O2)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations