Geometry & MOs

Info

ID:	249929
PubChem CID:	103092936
Reduced:	NCl2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	4.32
Dipole, Da:	3.11
IP(EA), eV:	-9.15(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[(E)-2-methyl-3-(methylamino)but-1-enyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(/C(=C/C1=C(C(=CC=C1)Cl)Cl)/C)NC

DOS

IR

Vibrations