Geometry & MOs

Info

ID:	204803
PubChem CID:	80010722
Reduced:	ClO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	253.167794
ΔH_f, kcal/mol:	35.36
Dipole, Da:	3.28
IP(EA), eV:	-9.55(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

octan-2-yl 5-(aminomethyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC2=NOC(=N2)C3=CC=C(O3)CN

DOS

IR

Vibrations