Geometry & MOs

Info

ID:	261991
PubChem CID:	103264927
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-49.48
Dipole, Da:	6.92
IP(EA), eV:	-9.47(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[1-(but-3-en-2-ylamino)ethyl]furan-2-carboxylate

Drug info:

PubChemData

Smile

CC(C=C)NCC1=CC(=CC=C1)C(=O)O

DOS

IR

Vibrations